7656-0896 Screening compound: 7-methyl-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide

7656-0896 Screening compound: 7-methyl-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
7656-0896 Screening compound: 7-methyl-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7656-0896
7-methyl-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-3,4-dihydro-1H-2-benzopyran-3-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

7656-0896

Molecular Formula

C22H20N2O3S (C22 H20 N2 O3 S)

Compound Name

7-methyl-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide

IUPAC name

7-methyl-N-{5-[(4-methylphenyl)methyl]-13-thiazol-2-yl}-1-oxo-34-dihydro-1H-2-benzopyran-3-carboxamide

SMILES

Cc1ccc(Cc2cnc(NC(C(Cc3c4cc(C)cc3)OC4=O)=O)s2)cc1

InChI

InChI=1S/C22H20N2O3S/c1-13-3-6-15(7-4-13)10-17-12-23-22(28-17)24-20(25)19-11-16-8-5-14(2)9-18(16)21(26)27-19/h3-9,12,19H,10-11H2,1-2H3,(H,23,24,25)/t19-/m0/s1

InChI Key

SYRWOXOMVCMOOI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD07429111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.212

Distribution Coefficient, logD

5.206

Water Solubility, LogSw

-4.90

Polar Surface Area

54.450

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

7656-0896 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7656-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7656-0896?
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What is the minimum amount of 7656-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7656-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7656-0896
  • 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 7656-0896 available by request