8014-9065 Screening compound: 5-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,6-dioxo-1-propyl-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

8014-9065 Screening compound: 5-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,6-dioxo-1-propyl-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
8014-9065 Screening compound: 5-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,6-dioxo-1-propyl-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9065
5-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,6-dioxo-1-propyl-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

8014-9065

Molecular Formula

C22H21ClN2O5 (C22 H21 ClN2 O5)

Compound Name

5-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,6-dioxo-1-propyl-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

IUPAC name

5-(3-chlorophenyl)-3-(2-hydroxyphenyl)-46-dioxo-1-propyl-octahydropyrrolo[34-c]pyrrole-1-carboxylic acid

SMILES

CCCC(C(C1C(N2c3cccc(Cl)c3)=O)C2=O)(C(O)=O)NC1c(cccc1)c1O

InChI

InChI=1S/C22H21ClN2O5/c1-2-10-22(21(29)30)17-16(18(24-22)14-8-3-4-9-15(14)26)19(27)25(20(17)28)13-7-5-6-12(23)11-13/h3-9,11,16-18,24,26H,2,10H2,1H3,(H,29,30)

InChI Key

NKFNYMLSWOYBRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.824

Distribution Coefficient, logD

0.506

Water Solubility, LogSw

-3.38

Polar Surface Area

87.380

Acid Dissociation Constant (pKa)

3.22

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

31.80

8014-9065 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8014-9065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9065?
Check Price and Availability of 8014-9065, 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 8014-9065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9065
  • 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 8014-9065 available by request