V011-6867 Screening compound: 4-[4-(4-methoxybenzamido)phenyl]-1-(3-methylphenyl)-3-(2-methylpropyl)-1H-pyrazol-5-yl acetate

V011-6867 Screening compound: 4-[4-(4-methoxybenzamido)phenyl]-1-(3-methylphenyl)-3-(2-methylpropyl)-1H-pyrazol-5-yl acetate
V011-6867 Screening compound: 4-[4-(4-methoxybenzamido)phenyl]-1-(3-methylphenyl)-3-(2-methylpropyl)-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-6867
4-[4-(4-methoxybenzamido)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

V011-6867

Molecular Formula

C30H31N3O4 (C30 H31 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Cc(c(-c(cc1)ccc1NC(c(cc1)ccc1OC)=O)c1OC(C)=O)nn1-c1cc(C)ccc1

InChI

InChI=1S/C30H31N3O4/c1-19(2)17-27-28(30(37-21(4)34)33(32-27)25-8-6-7-20(3)18-25)22-9-13-24(14-10-22)31-29(35)23-11-15-26(36-5)16-12-23/h6-16,18-19H,17H2,1-5H3,(H,31,35)

InChI Key

ITWKUMTYPVAWQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19868273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.486

Distribution Coefficient, logD

6.486

Water Solubility, LogSw

-5.64

Polar Surface Area

65.976

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

V011-6867 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 V011-6867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-6867?
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What is the minimum amount of V011-6867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-6867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-6867
  • 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 V011-6867 available by request