D269-0591 Screening compound: 3,6-dimethyl-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-1-benzofuran-2-carboxamide

D269-0591 Screening compound: 3,6-dimethyl-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-1-benzofuran-2-carboxamide
D269-0591 Screening compound: 3,6-dimethyl-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D269-0591
3,6-dimethyl-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-1-benzofuran-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

D269-0591

Molecular Formula

C20H17N3O2S (C20 H17 N3 O2 S)

Compound Name

3,6-dimethyl-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-1-benzofuran-2-carboxamide

IUPAC name

36-dimethyl-N-[3-(4-methylphenyl)-124-thiadiazol-5-yl]-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(Nc2nc(-c3ccc(C)cc3)ns2)=O)oc2c1ccc(C)c2

InChI

InChI=1S/C20H17N3O2S/c1-11-4-7-14(8-5-11)18-21-20(26-23-18)22-19(24)17-13(3)15-9-6-12(2)10-16(15)25-17/h4-10H,1-3H3,(H,21,22,23,24)

InChI Key

RFUYKEQMUNUPCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12919391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

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

6.067

Distribution Coefficient, logD

6.057

Water Solubility, LogSw

-5.52

Polar Surface Area

52.443

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D269-0591 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D269-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D269-0591?
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What is the minimum amount of D269-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D269-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D269-0591
  • 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 D269-0591 available by request