D136-0093 Screening compound: 1-oxo-3-phenyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide

D136-0093 Screening compound: 1-oxo-3-phenyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide
D136-0093 Screening compound: 1-oxo-3-phenyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D136-0093
1-oxo-3-phenyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-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

D136-0093

Molecular Formula

C19H14N2O3S (C19 H14 N2 O3 S)

Compound Name

1-oxo-3-phenyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide

IUPAC name

1-oxo-3-phenyl-N-(13-thiazol-2-yl)-34-dihydro-1H-2-benzopyran-6-carboxamide

SMILES

O=C(c(cc1)cc(CC(c2ccccc2)O2)c1C2=O)Nc1nccs1

InChI

InChI=1S/C19H14N2O3S/c22-17(21-19-20-8-9-25-19)13-6-7-15-14(10-13)11-16(24-18(15)23)12-4-2-1-3-5-12/h1-10,16H,11H2,(H,20,21,22)/t16-/m1/s1

InChI Key

YUDBLNWFCZRZLZ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD06438591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.841

Distribution Coefficient, logD

3.756

Water Solubility, LogSw

-4.14

Polar Surface Area

54.361

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

D136-0093 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Arginase Targeted Library (2009 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with D136-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D136-0093?
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What is the minimum amount of D136-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D136-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D136-0093
  • 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 D136-0093 available by request