V011-6855 Screening compound: 4-[4-(2-chlorobenzamido)phenyl]-1-(3-methylphenyl)-3-(2-methylpropyl)-1H-pyrazol-5-yl acetate

V011-6855 Screening compound: 4-[4-(2-chlorobenzamido)phenyl]-1-(3-methylphenyl)-3-(2-methylpropyl)-1H-pyrazol-5-yl acetate
V011-6855 Screening compound: 4-[4-(2-chlorobenzamido)phenyl]-1-(3-methylphenyl)-3-(2-methylpropyl)-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-6855
4-[4-(2-chlorobenzamido)phenyl]-1-(3-methylphenyl)-3-(2-methylpropyl)-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

V011-6855

Molecular Formula

C29H28ClN3O3 (C29 H28 ClN3 O3)

Compound Name

4-[4-(2-chlorobenzamido)phenyl]-1-(3-methylphenyl)-3-(2-methylpropyl)-1H-pyrazol-5-yl acetate

IUPAC name

4-[4-(2-chlorobenzamido)phenyl]-1-(3-methylphenyl)-3-(2-methylpropyl)-1H-pyrazol-5-yl acetate

SMILES

CC(C)Cc(c(-c(cc1)ccc1NC(c(cccc1)c1Cl)=O)c1OC(C)=O)nn1-c1cc(C)ccc1

InChI

InChI=1S/C29H28ClN3O3/c1-18(2)16-26-27(29(36-20(4)34)33(32-26)23-9-7-8-19(3)17-23)21-12-14-22(15-13-21)31-28(35)24-10-5-6-11-25(24)30/h5-15,17-18H,16H2,1-4H3,(H,31,35)

InChI Key

PPDQLJOJIJPRMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19868272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.958

Distribution Coefficient, logD

6.958

Water Solubility, LogSw

-6.34

Polar Surface Area

58.432

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with V011-6855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-6855?
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What is the minimum amount of V011-6855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-6855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-6855
  • 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 V011-6855 available by request