V008-3180 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-4-[4-(4-chlorobenzamido)phenyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl acetate

V008-3180 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-4-[4-(4-chlorobenzamido)phenyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl acetate
V008-3180 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-4-[4-(4-chlorobenzamido)phenyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3180
3-(2H-1,3-benzodioxol-5-yl)-4-[4-(4-chlorobenzamido)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

V008-3180

Molecular Formula

C32H24ClN3O5 (C32 H24 ClN3 O5)

Compound Name

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

IUPAC name

3-(2H-13-benzodioxol-5-yl)-4-[4-(4-chlorobenzamido)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(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C32H24ClN3O5/c1-19-4-3-5-26(16-19)36-32(41-20(2)37)29(30(35-36)23-10-15-27-28(17-23)40-18-39-27)21-8-13-25(14-9-21)34-31(38)22-6-11-24(33)12-7-22/h3-17H,18H2,1-2H3,(H,34,38)

InChI Key

YPRVTUDTTFKAEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19868631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.01

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

7.188

Distribution Coefficient, logD

7.187

Water Solubility, LogSw

-6.47

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

V008-3180 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V008-3180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3180?
Check Price and Availability of V008-3180, 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 V008-3180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3180
  • 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 V008-3180 available by request