Y031-6140 Screening compound: 3-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

Y031-6140 Screening compound: 3-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
Y031-6140 Screening compound: 3-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6140
3-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-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

Y031-6140

Molecular Formula

C18H16N4O2S (C18 H16 N4 O2 S)

Compound Name

3-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

IUPAC name

3-benzamido-4-methyl-N-(5-methyl-134-thiadiazol-2-yl)benzamide

SMILES

Cc1nnc(NC(c2cc(NC(c3ccccc3)=O)c(C)cc2)=O)s1

InChI

InChI=1S/C18H16N4O2S/c1-11-8-9-14(17(24)20-18-22-21-12(2)25-18)10-15(11)19-16(23)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,23)(H,20,22,24)

InChI Key

SNFQKTQEOQQXGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09460561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.954

Distribution Coefficient, logD

2.073

Water Solubility, LogSw

-3.38

Polar Surface Area

69.074

Acid Dissociation Constant (pKa)

6.58

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

Y031-6140 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y031-6140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6140?
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What is the minimum amount of Y031-6140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6140
  • 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 Y031-6140 available by request