D291-0243 Screening compound: 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

D291-0243 Screening compound: 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
D291-0243 Screening compound: 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D291-0243
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

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

D291-0243

Molecular Formula

C12H12N8O3S2 (C12 H12 N8 O3 S2)

Compound Name

2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

IUPAC name

2-{[5-(4-acetamido-125-oxadiazol-3-yl)-4-methyl-4H-124-triazol-3-yl]sulfanyl}-N-(13-thiazol-2-yl)acetamide

SMILES

CC(Nc1nonc1-c(n1C)nnc1SCC(Nc1nccs1)=O)=O

InChI

InChI=1S/C12H12N8O3S2/c1-6(21)14-9-8(18-23-19-9)10-16-17-12(20(10)2)25-5-7(22)15-11-13-3-4-24-11/h3-4H,5H2,1-2H3,(H,13,15,22)(H,14,19,21)

InChI Key

SFHMWJWILXYQEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09221598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.588

Distribution Coefficient, logD

0.584

Water Solubility, LogSw

-1.99

Polar Surface Area

118.969

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D291-0243 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D291-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D291-0243?
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What is the minimum amount of D291-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D291-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D291-0243
  • 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 D291-0243 available by request