V012-9972 Screening compound: N-{2-[3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylpropanamide

V012-9972 Screening compound: N-{2-[3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylpropanamide
V012-9972 Screening compound: N-{2-[3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9972
N-{2-[3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylpropanamide

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

V012-9972

Molecular Formula

C23H26ClN3O4 (C23 H26 ClN3 O4)

Compound Name

N-{2-[3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylpropanamide

IUPAC name

N-{2-[3-(2-chlorophenyl)-5-(25-dimethoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylpropanamide

SMILES

CCC(N(C)CC(N(C(C1)c(cc(cc2)OC)c2OC)N=C1c(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C23H26ClN3O4/c1-5-22(28)26(2)14-23(29)27-20(17-12-15(30-3)10-11-21(17)31-4)13-19(25-27)16-8-6-7-9-18(16)24/h6-12,20H,5,13-14H2,1-4H3/t20-/m1/s1

InChI Key

JYLGCEAWVWSXPJ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19800727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.034

Distribution Coefficient, logD

4.034

Water Solubility, LogSw

-4.42

Polar Surface Area

57.928

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with V012-9972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9972?
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What is the minimum amount of V012-9972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9972
  • 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 V012-9972 available by request