P471-0052 Screening compound: 2-(4-chlorophenyl)-N-(4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,3-oxazol-2-yl}phenyl)acetamide

P471-0052 Screening compound: 2-(4-chlorophenyl)-N-(4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,3-oxazol-2-yl}phenyl)acetamide
P471-0052 Screening compound: 2-(4-chlorophenyl)-N-(4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,3-oxazol-2-yl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P471-0052
2-(4-chlorophenyl)-N-(4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,3-oxazol-2-yl}phenyl)acetamide

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

P471-0052

Molecular Formula

C22H19ClN4O2 (C22 H19 ClN4 O2)

Compound Name

2-(4-chlorophenyl)-N-(4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,3-oxazol-2-yl}phenyl)acetamide

IUPAC name

2-(4-chlorophenyl)-N-(4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-13-oxazol-2-yl}phenyl)acetamide

SMILES

Cc1c(Cn2nccc2)nc(-c(cc2)ccc2NC(Cc(cc2)ccc2Cl)=O)o1

InChI

InChI=1S/C22H19ClN4O2/c1-15-20(14-27-12-2-11-24-27)26-22(29-15)17-5-9-19(10-6-17)25-21(28)13-16-3-7-18(23)8-4-16/h2-12H,13-14H2,1H3,(H,25,28)

InChI Key

VKFXZJRXZZCGNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27575539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.87

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

3.636

Distribution Coefficient, logD

3.636

Water Solubility, LogSw

-4.15

Polar Surface Area

55.761

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

P471-0052 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P471-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P471-0052?
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What is the minimum amount of P471-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P471-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P471-0052
  • 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 P471-0052 available by request