D677-0953 Screening compound: 2-(3-chloro-4-methoxyphenyl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}acetamide

D677-0953 Screening compound: 2-(3-chloro-4-methoxyphenyl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}acetamide
D677-0953 Screening compound: 2-(3-chloro-4-methoxyphenyl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D677-0953
2-(3-chloro-4-methoxyphenyl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}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

D677-0953

Molecular Formula

C16H14ClN3O3S (C16 H14 ClN3 O3 S)

Compound Name

2-(3-chloro-4-methoxyphenyl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}acetamide

IUPAC name

2-(3-chloro-4-methoxyphenyl)-N-{[5-(thiophen-2-yl)-124-oxadiazol-3-yl]methyl}acetamide

SMILES

COc(ccc(CC(NCc1noc(-c2cccs2)n1)=O)c1)c1Cl

InChI

InChI=1S/C16H14ClN3O3S/c1-22-12-5-4-10(7-11(12)17)8-15(21)18-9-14-19-16(23-20-14)13-3-2-6-24-13/h2-7H,8-9H2,1H3,(H,18,21)

InChI Key

UGJMVNQIJVEUKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.038

Distribution Coefficient, logD

3.038

Water Solubility, LogSw

-3.48

Polar Surface Area

65.755

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D677-0953 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 D677-0953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D677-0953?
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What is the minimum amount of D677-0953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D677-0953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D677-0953
  • 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 D677-0953 available by request