8013-1885 Screening compound: 5-(4-chlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)-1-(2-methylpropyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

8013-1885 Screening compound: 5-(4-chlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)-1-(2-methylpropyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
8013-1885 Screening compound: 5-(4-chlorophenyl)-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 8013-1885
5-(4-chlorophenyl)-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

8013-1885

Molecular Formula

C24H25ClN2O6 (C24 H25 ClN2 O6)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CC(C(C1C(N2c(cc3)ccc3Cl)=O)C2=O)(C(O)=O)NC1c(cccc1OC)c1O

InChI

InChI=1S/C24H25ClN2O6/c1-12(2)11-24(23(31)32)18-17(19(26-24)15-5-4-6-16(33-3)20(15)28)21(29)27(22(18)30)14-9-7-13(25)8-10-14/h4-10,12,17-19,26,28H,11H2,1-3H3,(H,31,32)

InChI Key

BUGSYAXXPKZOBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.061

Distribution Coefficient, logD

0.743

Water Solubility, LogSw

-3.47

Polar Surface Area

93.941

Acid Dissociation Constant (pKa)

3.22

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

37.50

8013-1885 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-1885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1885?
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What is the minimum amount of 8013-1885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1885
  • 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 8013-1885 available by request