V017-0994 Screening compound: N-{2-[5-(2-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)cyclobutanecarboxamide

V017-0994 Screening compound: N-{2-[5-(2-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)cyclobutanecarboxamide
V017-0994 Screening compound: N-{2-[5-(2-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-0994
N-{2-[5-(2-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)cyclobutanecarboxamide

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

V017-0994

Molecular Formula

C23H26ClN3O3S (C23 H26 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)cyclobutanecarboxamide

IUPAC name

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

SMILES

COCCN(CC(N(C(C1)c(cccc2)c2Cl)N=C1c1cccs1)=O)C(C1CCC1)=O

InChI

InChI=1S/C23H26ClN3O3S/c1-30-12-11-26(23(29)16-6-4-7-16)15-22(28)27-20(17-8-2-3-9-18(17)24)14-19(25-27)21-10-5-13-31-21/h2-3,5,8-10,13,16,20H,4,6-7,11-12,14-15H2,1H3/t20-/m0/s1

InChI Key

NPZOFRLUMFTFSY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19800639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.899

Distribution Coefficient, logD

3.899

Water Solubility, LogSw

-4.13

Polar Surface Area

52.932

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with V017-0994 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V017-0994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-0994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-0994
  • 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 V017-0994 available by request