3931-1772 Screening compound: phenyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamate

3931-1772 Screening compound: phenyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamate
3931-1772 Screening compound: phenyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3931-1772
phenyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamate

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

3931-1772

Molecular Formula

C17H14N2O2S (C17 H14 N2 O2 S)

Compound Name

phenyl N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamate

IUPAC name

phenyl N-[4-(4-methylphenyl)-13-thiazol-2-yl]carbamate

SMILES

Cc(cc1)ccc1-c1csc(NC(Oc2ccccc2)=O)n1

InChI

InChI=1S/C17H14N2O2S/c1-12-7-9-13(10-8-12)15-11-22-16(18-15)19-17(20)21-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19,20)

InChI Key

NUMQEFOHRMPDNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02358367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.396

Distribution Coefficient, logD

5.396

Water Solubility, LogSw

-5.49

Polar Surface Area

41.081

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

3931-1772 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Epigenetics Focused Set (26518 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 3931-1772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3931-1772?
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What is the minimum amount of 3931-1772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3931-1772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3931-1772
  • 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 3931-1772 available by request