P471-0486 Screening compound: (2E)-N-(4-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl}phenyl)-3-phenylprop-2-enamide

P471-0486 Screening compound: (2E)-N-(4-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl}phenyl)-3-phenylprop-2-enamide
P471-0486 Screening compound: (2E)-N-(4-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl}phenyl)-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P471-0486
(2E)-N-(4-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl}phenyl)-3-phenylprop-2-enamide

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

P471-0486

Molecular Formula

C25H24N4O2 (C25 H24 N4 O2)

Compound Name

(2E)-N-(4-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl}phenyl)-3-phenylprop-2-enamide

IUPAC name

(2E)-N-(4-{4-[(35-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-13-oxazol-2-yl}phenyl)-3-phenylprop-2-enamide

SMILES

Cc1cc(C)nn1Cc1c(C)oc(-c(cc2)ccc2NC(/C=C/c2ccccc2)=O)n1

InChI

InChI=1S/C25H24N4O2/c1-17-15-18(2)29(28-17)16-23-19(3)31-25(27-23)21-10-12-22(13-11-21)26-24(30)14-9-20-7-5-4-6-8-20/h4-15H,16H2,1-3H3,(H,26,30)

InChI Key

HRULJZAQHRGWBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27575723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.070

Distribution Coefficient, logD

4.070

Water Solubility, LogSw

-4.19

Polar Surface Area

54.974

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

P471-0486 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with P471-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P471-0486?
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What is the minimum amount of P471-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P471-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P471-0486
  • 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 P471-0486 available by request