V001-6802 Screening compound: 4-[4-(4-chlorobenzamido)phenyl]-3-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)-1H-pyrazol-5-yl acetate

V001-6802 Screening compound: 4-[4-(4-chlorobenzamido)phenyl]-3-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)-1H-pyrazol-5-yl acetate
V001-6802 Screening compound: 4-[4-(4-chlorobenzamido)phenyl]-3-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-6802
4-[4-(4-chlorobenzamido)phenyl]-3-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)-1H-pyrazol-5-yl acetate

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

V001-6802

Molecular Formula

C32H25ClFN3O5 (C32 H25 ClFN3 O5)

Compound Name

4-[4-(4-chlorobenzamido)phenyl]-3-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)-1H-pyrazol-5-yl acetate

IUPAC name

4-[4-(4-chlorobenzamido)phenyl]-3-(34-dimethoxyphenyl)-1-(3-fluorophenyl)-1H-pyrazol-5-yl acetate

SMILES

CC(Oc(n(-c1cc(F)ccc1)nc1-c(cc2)cc(OC)c2OC)c1-c(cc1)ccc1NC(c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C32H25ClFN3O5/c1-19(38)42-32-29(20-9-14-25(15-10-20)35-31(39)21-7-12-23(33)13-8-21)30(22-11-16-27(40-2)28(17-22)41-3)36-37(32)26-6-4-5-24(34)18-26/h4-18H,1-3H3,(H,35,39)

InChI Key

GNPVOJOUHBNAGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19868530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.467

Distribution Coefficient, logD

6.466

Water Solubility, LogSw

-6.52

Polar Surface Area

72.926

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

References: we are preparing a list of scientific research reports with V001-6802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-6802?
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What is the minimum amount of V001-6802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-6802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-6802
  • 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 V001-6802 available by request