P147-0602 Screening compound: N-[1-(2,4-dimethylphenyl)ethyl]-4-{4-[(2-methylpropanamido)methyl]-1H-pyrazol-1-yl}benzamide

P147-0602 Screening compound: N-[1-(2,4-dimethylphenyl)ethyl]-4-{4-[(2-methylpropanamido)methyl]-1H-pyrazol-1-yl}benzamide
P147-0602 Screening compound: N-[1-(2,4-dimethylphenyl)ethyl]-4-{4-[(2-methylpropanamido)methyl]-1H-pyrazol-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P147-0602
N-[1-(2,4-dimethylphenyl)ethyl]-4-{4-[(2-methylpropanamido)methyl]-1H-pyrazol-1-yl}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

P147-0602

Molecular Formula

C25H30N4O2 (C25 H30 N4 O2)

Compound Name

N-[1-(2,4-dimethylphenyl)ethyl]-4-{4-[(2-methylpropanamido)methyl]-1H-pyrazol-1-yl}benzamide

IUPAC name

N-[1-(24-dimethylphenyl)ethyl]-4-{4-[(2-methylpropanamido)methyl]-1H-pyrazol-1-yl}benzamide

SMILES

CC(C)C(NCc1cn(-c(cc2)ccc2C(NC(C)c2c(C)cc(C)cc2)=O)nc1)=O

InChI

InChI=1S/C25H30N4O2/c1-16(2)24(30)26-13-20-14-27-29(15-20)22-9-7-21(8-10-22)25(31)28-19(5)23-11-6-17(3)12-18(23)4/h6-12,14-16,19H,13H2,1-5H3,(H,26,30)(H,28,31)/t19-/m0/s1

InChI Key

IFSJTFOUZOEGBW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29020153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.878

Distribution Coefficient, logD

3.878

Water Solubility, LogSw

-3.84

Polar Surface Area

62.857

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

P147-0602 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P147-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P147-0602?
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What is the minimum amount of P147-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P147-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P147-0602
  • 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 P147-0602 available by request