Y031-7978 Screening compound: N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide

Y031-7978 Screening compound: N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide
Y031-7978 Screening compound: N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7978
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide

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

Y031-7978

Molecular Formula

C11H12N2OS (C11 H12 N2 OS)

Compound Name

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide

IUPAC name

N-(45-dihydro-13-thiazol-2-yl)-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(NC1=NCCS1)=O

InChI

InChI=1S/C11H12N2OS/c1-8-2-4-9(5-3-8)10(14)13-11-12-6-7-15-11/h2-5H,6-7H2,1H3,(H,12,13,14)

InChI Key

KRNFLODRNBSJFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01212053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.112

Distribution Coefficient, logD

2.099

Water Solubility, LogSw

-2.78

Polar Surface Area

32.776

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

Y031-7978 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-7978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7978?
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What is the minimum amount of Y031-7978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7978
  • 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 Y031-7978 available by request