V022-9438 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-4-[4-(2-fluorobenzamido)phenyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl acetate

V022-9438 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-4-[4-(2-fluorobenzamido)phenyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl acetate
V022-9438 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-4-[4-(2-fluorobenzamido)phenyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-9438
3-(2H-1,3-benzodioxol-5-yl)-4-[4-(2-fluorobenzamido)phenyl]-1-(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

V022-9438

Molecular Formula

C32H24FN3O5 (C32 H24 FN3 O5)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-4-[4-(2-fluorobenzamido)phenyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl acetate

IUPAC name

3-(2H-13-benzodioxol-5-yl)-4-[4-(2-fluorobenzamido)phenyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl acetate

SMILES

CC(Oc(n(-c1cc(C)ccc1)nc1-c(cc2)cc3c2OCO3)c1-c(cc1)ccc1NC(c(cccc1)c1F)=O)=O

InChI

InChI=1S/C32H24FN3O5/c1-19-6-5-7-24(16-19)36-32(41-20(2)37)29(30(35-36)22-12-15-27-28(17-22)40-18-39-27)21-10-13-23(14-11-21)34-31(38)25-8-3-4-9-26(25)33/h3-17H,18H2,1-2H3,(H,34,38)

InChI Key

DSOMXZGDJOYSSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19868630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.576

Distribution Coefficient, logD

6.576

Water Solubility, LogSw

-5.73

Polar Surface Area

74.781

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

V022-9438 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V022-9438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-9438?
Check Price and Availability of V022-9438, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V022-9438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-9438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-9438
  • 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 V022-9438 available by request