V013-6718 Screening compound: N-[1-(3,4-dichlorophenyl)-5-ethyl-1H-pyrazol-3-yl]-2-phenoxyacetamide

V013-6718 Screening compound: N-[1-(3,4-dichlorophenyl)-5-ethyl-1H-pyrazol-3-yl]-2-phenoxyacetamide
V013-6718 Screening compound: N-[1-(3,4-dichlorophenyl)-5-ethyl-1H-pyrazol-3-yl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6718
N-[1-(3,4-dichlorophenyl)-5-ethyl-1H-pyrazol-3-yl]-2-phenoxyacetamide

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

V013-6718

Molecular Formula

C19H17Cl2N3O2 (C19 H17 Cl2 N3 O2)

Compound Name

N-[1-(3,4-dichlorophenyl)-5-ethyl-1H-pyrazol-3-yl]-2-phenoxyacetamide

IUPAC name

N-[1-(34-dichlorophenyl)-5-ethyl-1H-pyrazol-3-yl]-2-phenoxyacetamide

SMILES

CCc1cc(NC(COc2ccccc2)=O)nn1-c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C19H17Cl2N3O2/c1-2-13-11-18(22-19(25)12-26-15-6-4-3-5-7-15)23-24(13)14-8-9-16(20)17(21)10-14/h3-11H,2,12H2,1H3,(H,22,23,25)

InChI Key

XXWBNKFQLRPPSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19969013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.234

Distribution Coefficient, logD

5.234

Water Solubility, LogSw

-5.75

Polar Surface Area

44.758

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

V013-6718 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 V013-6718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6718?
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What is the minimum amount of V013-6718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6718
  • 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 V013-6718 available by request