V016-8961 Screening compound: 4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-1-phenyl-3-(propan-2-yl)-1H-pyrazol-5-yl acetate

V016-8961 Screening compound: 4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-1-phenyl-3-(propan-2-yl)-1H-pyrazol-5-yl acetate
V016-8961 Screening compound: 4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-1-phenyl-3-(propan-2-yl)-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8961
4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-1-phenyl-3-(propan-2-yl)-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

V016-8961

Molecular Formula

C28H25N3O5 (C28 H25 N3 O5)

Compound Name

4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-1-phenyl-3-(propan-2-yl)-1H-pyrazol-5-yl acetate

IUPAC name

4-[4-(2H-13-benzodioxole-5-amido)phenyl]-1-phenyl-3-(propan-2-yl)-1H-pyrazol-5-yl acetate

SMILES

CC(C)c(c(-c(cc1)ccc1NC(c(cc1)cc2c1OCO2)=O)c1OC(C)=O)nn1-c1ccccc1

InChI

InChI=1S/C28H25N3O5/c1-17(2)26-25(28(36-18(3)32)31(30-26)22-7-5-4-6-8-22)19-9-12-21(13-10-19)29-27(33)20-11-14-23-24(15-20)35-16-34-23/h4-15,17H,16H2,1-3H3,(H,29,33)

InChI Key

IOZLNVDBVFMDRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19868724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.52

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

5.785

Distribution Coefficient, logD

5.785

Water Solubility, LogSw

-5.58

Polar Surface Area

75.052

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

V016-8961 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 V016-8961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8961?
Check Price and Availability of V016-8961, 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 V016-8961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8961
  • 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 V016-8961 available by request