V012-6659 Screening compound: N-{2-[5-(2-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)acetamide

V012-6659 Screening compound: N-{2-[5-(2-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)acetamide
V012-6659 Screening compound: N-{2-[5-(2-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-6659
N-{2-[5-(2-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)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

V012-6659

Molecular Formula

C20H22ClN3O3S (C20 H22 ClN3 O3 S)

Compound Name

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

IUPAC name

N-{2-[5-(2-chlorophenyl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)acetamide

SMILES

CC(N(CCOC)CC(N(C(C1)c(cccc2)c2Cl)N=C1c1cccs1)=O)=O

InChI

InChI=1S/C20H22ClN3O3S/c1-14(25)23(9-10-27-2)13-20(26)24-18(15-6-3-4-7-16(15)21)12-17(22-24)19-8-5-11-28-19/h3-8,11,18H,9-10,12-13H2,1-2H3/t18-/m0/s1

InChI Key

SQDMCCUMSDMECA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19800637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.317

Distribution Coefficient, logD

3.317

Water Solubility, LogSw

-3.44

Polar Surface Area

53.148

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with V012-6659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-6659?
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What is the minimum amount of V012-6659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-6659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-6659
  • 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 V012-6659 available by request