8009-7965 Screening compound: 1-{4-[2,5-dioxo-3-(2-pyrimidinylsulfanyl)-1-pyrrolidinyl]phenyl}-3-(2-pyrimidinylsulfanyl)dihydro-1H-pyrrole-2,5-dione

8009-7965 Screening compound: 1-{4-[2,5-dioxo-3-(2-pyrimidinylsulfanyl)-1-pyrrolidinyl]phenyl}-3-(2-pyrimidinylsulfanyl)dihydro-1H-pyrrole-2,5-dione
8009-7965 Screening compound: 1-{4-[2,5-dioxo-3-(2-pyrimidinylsulfanyl)-1-pyrrolidinyl]phenyl}-3-(2-pyrimidinylsulfanyl)dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7965
1-{4-[2,5-dioxo-3-(2-pyrimidinylsulfanyl)-1-pyrrolidinyl]phenyl}-3-(2-pyrimidinylsulfanyl)dihydro-1H-pyrrole-2,5-dione

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

8009-7965

Molecular Formula

C22H16N6O4S2 (C22 H16 N6 O4 S2)

Compound Name

1-{4-[2,5-dioxo-3-(2-pyrimidinylsulfanyl)-1-pyrrolidinyl]phenyl}-3-(2-pyrimidinylsulfanyl)dihydro-1H-pyrrole-2,5-dione

IUPAC name

1-{4-[25-dioxo-3-(pyrimidin-2-ylsulfanyl)pyrrolidin-1-yl]phenyl}-3-(pyrimidin-2-ylsulfanyl)pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)Sc2ncccn2)N1c(cc1)ccc1N(C(CC1Sc2ncccn2)=O)C1=O

InChI

InChI=1S/C22H16N6O4S2/c29-17-11-15(33-21-23-7-1-8-24-21)19(31)27(17)13-3-5-14(6-4-13)28-18(30)12-16(20(28)32)34-22-25-9-2-10-26-22/h1-10,15-16H,11-12H2

InChI Key

YWNSIJZCPHBLAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.54

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.146

Distribution Coefficient, logD

-0.147

Water Solubility, LogSw

-1.56

Polar Surface Area

94.391

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.18

8009-7965 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8009-7965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7965?
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What is the minimum amount of 8009-7965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7965
  • 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 8009-7965 available by request