8015-3397 Screening compound: 5-(4-acetamidophenyl)-3-(2-hydroxy-3-methoxyphenyl)-1-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

8015-3397 Screening compound: 5-(4-acetamidophenyl)-3-(2-hydroxy-3-methoxyphenyl)-1-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
8015-3397 Screening compound: 5-(4-acetamidophenyl)-3-(2-hydroxy-3-methoxyphenyl)-1-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3397
5-(4-acetamidophenyl)-3-(2-hydroxy-3-methoxyphenyl)-1-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

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

8015-3397

Molecular Formula

C23H23N3O7 (C23 H23 N3 O7)

Compound Name

5-(4-acetamidophenyl)-3-(2-hydroxy-3-methoxyphenyl)-1-methyl-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

IUPAC name

5-(4-acetamidophenyl)-3-(2-hydroxy-3-methoxyphenyl)-1-methyl-46-dioxo-octahydropyrrolo[34-c]pyrrole-1-carboxylic acid

SMILES

CC(C(C1C(N2c(cc3)ccc3NC(C)=O)=O)C2=O)(C(O)=O)NC1c(cccc1OC)c1O

InChI

InChI=1S/C23H23N3O7/c1-11(27)24-12-7-9-13(10-8-12)26-20(29)16-17(21(26)30)23(2,22(31)32)25-18(16)14-5-4-6-15(33-3)19(14)28/h4-10,16-18,25,28H,1-3H3,(H,24,27)(H,31,32)

InChI Key

PJDZMWGQPZQPEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.459

Distribution Coefficient, logD

-1.890

Water Solubility, LogSw

-1.67

Polar Surface Area

116.596

Acid Dissociation Constant (pKa)

3.19

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

30.40

8015-3397 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8015-3397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3397?
Check Price and Availability of 8015-3397, 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 8015-3397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3397
  • 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 8015-3397 available by request