D160-0077 Screening compound: 3-chloro-N-(4-ethyl-1,2,5-oxadiazol-3-yl)-6-methyl-1-benzothiophene-2-carboxamide

D160-0077 Screening compound: 3-chloro-N-(4-ethyl-1,2,5-oxadiazol-3-yl)-6-methyl-1-benzothiophene-2-carboxamide
D160-0077 Screening compound: 3-chloro-N-(4-ethyl-1,2,5-oxadiazol-3-yl)-6-methyl-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D160-0077
3-chloro-N-(4-ethyl-1,2,5-oxadiazol-3-yl)-6-methyl-1-benzothiophene-2-carboxamide

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

D160-0077

Molecular Formula

C14H12ClN3O2S (C14 H12 ClN3 O2 S)

Compound Name

3-chloro-N-(4-ethyl-1,2,5-oxadiazol-3-yl)-6-methyl-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-(4-ethyl-125-oxadiazol-3-yl)-6-methyl-1-benzothiophene-2-carboxamide

SMILES

CCc1nonc1NC(c(sc1c2ccc(C)c1)c2Cl)=O

InChI

InChI=1S/C14H12ClN3O2S/c1-3-9-13(18-20-17-9)16-14(19)12-11(15)8-5-4-7(2)6-10(8)21-12/h4-6H,3H2,1-2H3,(H,16,18,19)

InChI Key

CKGJVAARPBWCSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.560

Distribution Coefficient, logD

4.390

Water Solubility, LogSw

-4.74

Polar Surface Area

61.600

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

D160-0077 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D160-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D160-0077?
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What is the minimum amount of D160-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D160-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D160-0077
  • 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 D160-0077 available by request