V012-9994 Screening compound: N-{2-[3-(2-fluorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N,2-dimethylpropanamide

V012-9994 Screening compound: N-{2-[3-(2-fluorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N,2-dimethylpropanamide
V012-9994 Screening compound: N-{2-[3-(2-fluorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9994
N-{2-[3-(2-fluorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N,2-dimethylpropanamide

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

V012-9994

Molecular Formula

C23H26FN3O3 (C23 H26 FN3 O3)

Compound Name

N-{2-[3-(2-fluorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N,2-dimethylpropanamide

IUPAC name

N-{2-[3-(2-fluorophenyl)-5-(2-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N2-dimethylpropanamide

SMILES

CC(C)C(N(C)CC(N(C(C1)c(cccc2)c2OC)N=C1c(cccc1)c1F)=O)=O

InChI

InChI=1S/C23H26FN3O3/c1-15(2)23(29)26(3)14-22(28)27-20(17-10-6-8-12-21(17)30-4)13-19(25-27)16-9-5-7-11-18(16)24/h5-12,15,20H,13-14H2,1-4H3/t20-/m1/s1

InChI Key

YNUBMNGQGDDGOX-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19802885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.871

Distribution Coefficient, logD

3.871

Water Solubility, LogSw

-4.14

Polar Surface Area

50.911

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with V012-9994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9994?
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What is the minimum amount of V012-9994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9994
  • 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 V012-9994 available by request