D291-0059 Screening compound: 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide

D291-0059 Screening compound: 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
D291-0059 Screening compound: 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D291-0059
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)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

D291-0059

Molecular Formula

C17H19N7O4S (C17 H19 N7 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(Nc(cccc2)c2OC)=O)nnc1-c1nonc1NC(C)=O

InChI

InChI=1S/C17H19N7O4S/c1-4-24-16(14-15(18-10(2)25)23-28-22-14)20-21-17(24)29-9-13(26)19-11-7-5-6-8-12(11)27-3/h5-8H,4,9H2,1-3H3,(H,19,26)(H,18,23,25)

InChI Key

HFCOKEOUSRKBPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09221483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.790

Distribution Coefficient, logD

1.785

Water Solubility, LogSw

-2.30

Polar Surface Area

114.337

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D291-0059 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D291-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D291-0059?
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What is the minimum amount of D291-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D291-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D291-0059
  • 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 D291-0059 available by request