P471-0108 Screening compound: 3-bromo-N-(4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,3-oxazol-2-yl}phenyl)benzamide

P471-0108 Screening compound: 3-bromo-N-(4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,3-oxazol-2-yl}phenyl)benzamide
P471-0108 Screening compound: 3-bromo-N-(4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,3-oxazol-2-yl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P471-0108
3-bromo-N-(4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,3-oxazol-2-yl}phenyl)benzamide

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

P471-0108

Molecular Formula

C21H17BrN4O2 (C21 H17 BrN4 O2)

Compound Name

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

IUPAC name

3-bromo-N-(4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-13-oxazol-2-yl}phenyl)benzamide

SMILES

Cc1c(Cn2nccc2)nc(-c(cc2)ccc2NC(c2cccc(Br)c2)=O)o1

InChI

InChI=1S/C21H17BrN4O2/c1-14-19(13-26-11-3-10-23-26)25-21(28-14)15-6-8-18(9-7-15)24-20(27)16-4-2-5-17(22)12-16/h2-12H,13H2,1H3,(H,24,27)

InChI Key

AJAXCIQODHUXQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27575576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.3

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

4.002

Distribution Coefficient, logD

4.002

Water Solubility, LogSw

-4.14

Polar Surface Area

55.975

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with P471-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P471-0108?
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What is the minimum amount of P471-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P471-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P471-0108
  • 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 P471-0108 available by request