V015-2400 Screening compound: 4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-3-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl acetate

V015-2400 Screening compound: 4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-3-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl acetate
V015-2400 Screening compound: 4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-3-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-2400
4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-3-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-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

V015-2400

Molecular Formula

C33H26FN3O7 (C33 H26 FN3 O7)

Compound Name

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

IUPAC name

4-[4-(2H-13-benzodioxole-5-amido)phenyl]-3-(24-dimethoxyphenyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl acetate

SMILES

CC(Oc(n(-c(cc1)ccc1F)nc1-c(ccc(OC)c2)c2OC)c1-c(cc1)ccc1NC(c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C33H26FN3O7/c1-19(38)44-33-30(20-4-9-23(10-5-20)35-32(39)21-6-15-27-29(16-21)43-18-42-27)31(26-14-13-25(40-2)17-28(26)41-3)36-37(33)24-11-7-22(34)8-12-24/h4-17H,18H2,1-3H3,(H,35,39)

InChI Key

JFAZYNSJKXQHQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14263111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.098

Distribution Coefficient, logD

6.098

Water Solubility, LogSw

-5.60

Polar Surface Area

89.955

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

V015-2400 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 V015-2400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-2400?
Check Price and Availability of V015-2400, 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 V015-2400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-2400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-2400
  • 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 V015-2400 available by request