8015-3398 Screening compound: N-(4-{1-[(2-chlorophenyl)methyl]-3'-methyl-2,4',6'-trioxo-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl}phenyl)acetamide

8015-3398 Screening compound: N-(4-{1-[(2-chlorophenyl)methyl]-3'-methyl-2,4',6'-trioxo-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl}phenyl)acetamide
8015-3398 Screening compound: N-(4-{1-[(2-chlorophenyl)methyl]-3'-methyl-2,4',6'-trioxo-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3398
N-(4-{1-[(2-chlorophenyl)methyl]-3'-methyl-2,4',6'-trioxo-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl}phenyl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8015-3398

Molecular Formula

C29H25ClN4O4 (C29 H25 ClN4 O4)

Compound Name

N-(4-{1-[(2-chlorophenyl)methyl]-3'-methyl-2,4',6'-trioxo-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl}phenyl)acetamide

IUPAC name

N-(4-{1-[(2-chlorophenyl)methyl]-3'-methyl-24'6'-trioxo-123'3'a4'5'6'6'a-octahydro-2'H-spiro[indole-31'-pyrrolo[34-c]pyrrol]-5'-yl}phenyl)acetamide

SMILES

CC(C(C1C(N2c(cc3)ccc3NC(C)=O)=O)C2=O)NC1(c(cccc1)c1N1Cc(cccc2)c2Cl)C1=O

InChI

InChI=1S/C29H25ClN4O4/c1-16-24-25(27(37)34(26(24)36)20-13-11-19(12-14-20)31-17(2)35)29(32-16)21-8-4-6-10-23(21)33(28(29)38)15-18-7-3-5-9-22(18)30/h3-14,16,24-25,32H,15H2,1-2H3,(H,31,35)

InChI Key

RJCXHRKTFLCZRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03942441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.936

Distribution Coefficient, logD

2.935

Water Solubility, LogSw

-3.72

Polar Surface Area

80.659

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

24.10

8015-3398 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Proteases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8015-3398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3398?
Check Price and Availability of 8015-3398, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-3398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3398
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8015-3398 available by request