K953-0183 Screening compound: N-(2-methyl-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-1-oxo-4-phenyl-1H-isochromene-3-carboxamide

K953-0183 Screening compound: N-(2-methyl-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-1-oxo-4-phenyl-1H-isochromene-3-carboxamide
K953-0183 Screening compound: N-(2-methyl-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-1-oxo-4-phenyl-1H-isochromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0183
N-(2-methyl-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-1-oxo-4-phenyl-1H-isochromene-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

K953-0183

Molecular Formula

C29H19N3O4 (C29 H19 N3 O4)

Compound Name

N-(2-methyl-3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)-1-oxo-4-phenyl-1H-isochromene-3-carboxamide

IUPAC name

N-(2-methyl-3-{[13]oxazolo[45-b]pyridin-2-yl}phenyl)-1-oxo-4-phenyl-1H-isochromene-3-carboxamide

SMILES

Cc(c(-c1nc(nccc2)c2o1)ccc1)c1NC(C(O1)=C(c2ccccc2)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C29H19N3O4/c1-17-19(28-32-26-23(35-28)15-8-16-30-26)13-7-14-22(17)31-27(33)25-24(18-9-3-2-4-10-18)20-11-5-6-12-21(20)29(34)36-25/h2-16H,1H3,(H,31,33)

InChI Key

RYOOCOMKYIZJLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.043

Distribution Coefficient, logD

5.043

Water Solubility, LogSw

-4.67

Polar Surface Area

70.545

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.40

K953-0183 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K953-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0183?
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What is the minimum amount of K953-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0183
  • 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 K953-0183 available by request