D291-0185 Screening compound: 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide

D291-0185 Screening compound: 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
D291-0185 Screening compound: 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D291-0185
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)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

D291-0185

Molecular Formula

C17H19N7O3S (C17 H19 N7 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(CSc1nnc(-c2nonc2NC(C)=O)n1C)=O

InChI

InChI=1S/C17H19N7O3S/c1-4-11-5-7-12(8-6-11)19-13(26)9-28-17-21-20-16(24(17)3)14-15(18-10(2)25)23-27-22-14/h5-8H,4,9H2,1-3H3,(H,19,26)(H,18,23,25)

InChI Key

VFQXOOPJSLSZJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09221557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.353

Distribution Coefficient, logD

2.348

Water Solubility, LogSw

-2.72

Polar Surface Area

108.490

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with D291-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D291-0185?
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What is the minimum amount of D291-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D291-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D291-0185
  • 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 D291-0185 available by request