D491-9991 Screening compound: 5-(4-methylphenyl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide

D491-9991 Screening compound: 5-(4-methylphenyl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide
D491-9991 Screening compound: 5-(4-methylphenyl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9991
5-(4-methylphenyl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-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

D491-9991

Molecular Formula

C22H20N4O2 (C22 H20 N4 O2)

Compound Name

5-(4-methylphenyl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide

IUPAC name

5-(4-methylphenyl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-12-oxazole-3-carboxamide

SMILES

Cc1ccc(Cn2nccc2NC(c2noc(-c3ccc(C)cc3)c2)=O)cc1

InChI

InChI=1S/C22H20N4O2/c1-15-3-7-17(8-4-15)14-26-21(11-12-23-26)24-22(27)19-13-20(28-25-19)18-9-5-16(2)6-10-18/h3-13H,14H2,1-2H3,(H,24,27)

InChI Key

PRFUKHCAQNEVNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18077260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.664

Distribution Coefficient, logD

4.664

Water Solubility, LogSw

-4.28

Polar Surface Area

59.298

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D491-9991 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D491-9991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9991?
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What is the minimum amount of D491-9991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9991
  • 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 D491-9991 available by request