8013-1818 Screening compound: 5'-benzyl-1-[(2-chlorophenyl)methyl]-3'-methyl-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione

8013-1818 Screening compound: 5'-benzyl-1-[(2-chlorophenyl)methyl]-3'-methyl-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione
8013-1818 Screening compound: 5'-benzyl-1-[(2-chlorophenyl)methyl]-3'-methyl-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1818
5'-benzyl-1-[(2-chlorophenyl)methyl]-3'-methyl-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione

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

8013-1818

Molecular Formula

C28H24ClN3O3 (C28 H24 ClN3 O3)

Compound Name

5'-benzyl-1-[(2-chlorophenyl)methyl]-3'-methyl-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'-trione

IUPAC name

5'-benzyl-1-[(2-chlorophenyl)methyl]-3'-methyl-123'3'a4'5'6'6'a-octahydro-2'H-spiro[indole-31'-pyrrolo[34-c]pyrrole]-24'6'-trione

SMILES

CC(C(C1C(N2Cc3ccccc3)=O)C2=O)NC1(c(cccc1)c1N1Cc(cccc2)c2Cl)C1=O

InChI

InChI=1S/C28H24ClN3O3/c1-17-23-24(26(34)32(25(23)33)15-18-9-3-2-4-10-18)28(30-17)20-12-6-8-14-22(20)31(27(28)35)16-19-11-5-7-13-21(19)29/h2-14,17,23-24,30H,15-16H2,1H3

InChI Key

ZQDXUEHIPIDKFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.286

Distribution Coefficient, logD

4.285

Water Solubility, LogSw

-4.48

Polar Surface Area

58.008

Acid Dissociation Constant (pKa)

15.82

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

25.00

8013-1818 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-1818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1818?
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What is the minimum amount of 8013-1818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1818
  • 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 8013-1818 available by request