V021-0758 Screening compound: 4-(4-benzamidophenyl)-1-(2,5-dimethylphenyl)-3-(3-methylphenyl)-1H-pyrazol-5-yl acetate

V021-0758 Screening compound: 4-(4-benzamidophenyl)-1-(2,5-dimethylphenyl)-3-(3-methylphenyl)-1H-pyrazol-5-yl acetate
V021-0758 Screening compound: 4-(4-benzamidophenyl)-1-(2,5-dimethylphenyl)-3-(3-methylphenyl)-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0758
4-(4-benzamidophenyl)-1-(2,5-dimethylphenyl)-3-(3-methylphenyl)-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

V021-0758

Molecular Formula

C33H29N3O3 (C33 H29 N3 O3)

Compound Name

4-(4-benzamidophenyl)-1-(2,5-dimethylphenyl)-3-(3-methylphenyl)-1H-pyrazol-5-yl acetate

IUPAC name

4-(4-benzamidophenyl)-1-(25-dimethylphenyl)-3-(3-methylphenyl)-1H-pyrazol-5-yl acetate

SMILES

CC(Oc(n(-c1c(C)ccc(C)c1)nc1-c2cc(C)ccc2)c1-c(cc1)ccc1NC(c1ccccc1)=O)=O

InChI

InChI=1S/C33H29N3O3/c1-21-9-8-12-27(19-21)31-30(25-15-17-28(18-16-25)34-32(38)26-10-6-5-7-11-26)33(39-24(4)37)36(35-31)29-20-22(2)13-14-23(29)3/h5-20H,1-4H3,(H,34,38)

InChI Key

KIZZQGQJJSKSCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19868791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.402

Distribution Coefficient, logD

7.402

Water Solubility, LogSw

-5.79

Polar Surface Area

57.364

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

References: we are preparing a list of scientific research reports with V021-0758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0758?
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What is the minimum amount of V021-0758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0758
  • 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 V021-0758 available by request