D381-0161 Screening compound: 3-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide

D381-0161 Screening compound: 3-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
D381-0161 Screening compound: 3-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D381-0161
3-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide

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

D381-0161

Molecular Formula

C17H14ClN3O3S (C17 H14 ClN3 O3 S)

Compound Name

3-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide

IUPAC name

3-chloro-N-[3-(34-dimethoxyphenyl)-124-thiadiazol-5-yl]benzamide

SMILES

COc(ccc(-c1nsc(NC(c2cccc(Cl)c2)=O)n1)c1)c1OC

InChI

InChI=1S/C17H14ClN3O3S/c1-23-13-7-6-10(9-14(13)24-2)15-19-17(25-21-15)20-16(22)11-4-3-5-12(18)8-11/h3-9H,1-2H3,(H,19,20,21,22)

InChI Key

PLTSHENZDSDWGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12918580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.317

Distribution Coefficient, logD

4.276

Water Solubility, LogSw

-4.65

Polar Surface Area

59.178

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D381-0161 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D381-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D381-0161?
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What is the minimum amount of D381-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D381-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D381-0161
  • 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 D381-0161 available by request