K292-0993 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one

K292-0993 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one
K292-0993 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-0993
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one

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

K292-0993

Molecular Formula

C22H15BrN2O4S2 (C22 H15 BrN2 O4 S2)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

O=C(CSC(N(Cc(cc1)cc2c1OCO2)C1=O)=Nc2c1scc2)c(cc1)ccc1Br

InChI

InChI=1S/C22H15BrN2O4S2/c23-15-4-2-14(3-5-15)17(26)11-31-22-24-16-7-8-30-20(16)21(27)25(22)10-13-1-6-18-19(9-13)29-12-28-18/h1-9H,10-12H2

InChI Key

CSJALOOEDPORJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15091565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.219

Distribution Coefficient, logD

5.219

Water Solubility, LogSw

-5.52

Polar Surface Area

57.152

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

K292-0993 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K292-0993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-0993?
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What is the minimum amount of K292-0993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-0993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-0993
  • 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 K292-0993 available by request