8013-0282 Screening compound: 5-benzyl-3-(2-hydroxy-3-methoxyphenyl)-1-(2-methylpropyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

8013-0282 Screening compound: 5-benzyl-3-(2-hydroxy-3-methoxyphenyl)-1-(2-methylpropyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
8013-0282 Screening compound: 5-benzyl-3-(2-hydroxy-3-methoxyphenyl)-1-(2-methylpropyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0282
5-benzyl-3-(2-hydroxy-3-methoxyphenyl)-1-(2-methylpropyl)-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

8013-0282

Molecular Formula

C25H28N2O6 (C25 H28 N2 O6)

Compound Name

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

IUPAC name

5-benzyl-3-(2-hydroxy-3-methoxyphenyl)-1-(2-methylpropyl)-46-dioxo-octahydropyrrolo[34-c]pyrrole-1-carboxylic acid

SMILES

CC(C)CC(C(C1C(N2Cc3ccccc3)=O)C2=O)(C(O)=O)NC1c(cccc1OC)c1O

InChI

InChI=1S/C25H28N2O6/c1-14(2)12-25(24(31)32)19-18(20(26-25)16-10-7-11-17(33-3)21(16)28)22(29)27(23(19)30)13-15-8-5-4-6-9-15/h4-11,14,18-20,26,28H,12-13H2,1-3H3,(H,31,32)

InChI Key

JRTOHKDXBKZGGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.018

Distribution Coefficient, logD

0.700

Water Solubility, LogSw

-3.37

Polar Surface Area

94.552

Acid Dissociation Constant (pKa)

3.22

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

40.00

8013-0282 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8013-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0282?
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What is the minimum amount of 8013-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0282
  • 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 8013-0282 available by request