V001-6779 Screening compound: 4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-1-(3-methylphenyl)-3-(propan-2-yl)-1H-pyrazol-5-yl acetate

V001-6779 Screening compound: 4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-1-(3-methylphenyl)-3-(propan-2-yl)-1H-pyrazol-5-yl acetate
V001-6779 Screening compound: 4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-1-(3-methylphenyl)-3-(propan-2-yl)-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-6779
4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-1-(3-methylphenyl)-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

V001-6779

Molecular Formula

C29H27N3O5 (C29 H27 N3 O5)

Compound Name

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

IUPAC name

4-[4-(2H-13-benzodioxole-5-amido)phenyl]-1-(3-methylphenyl)-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-c1cc(C)ccc1

InChI

InChI=1S/C29H27N3O5/c1-17(2)27-26(29(37-19(4)33)32(31-27)23-7-5-6-18(3)14-23)20-8-11-22(12-9-20)30-28(34)21-10-13-24-25(15-21)36-16-35-24/h5-15,17H,16H2,1-4H3,(H,30,34)

InChI Key

FBQQAWQBVKZOSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19868749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.55

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

6.400

Distribution Coefficient, logD

6.400

Water Solubility, LogSw

-5.66

Polar Surface Area

75.052

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

V001-6779 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 V001-6779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-6779?
Check Price and Availability of V001-6779, 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 V001-6779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-6779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-6779
  • 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 V001-6779 available by request