V021-0830 Screening compound: 3-[4-(dimethylamino)phenyl]-1-(2,4-dimethylphenyl)-4-[4-(2-phenylacetamido)phenyl]-1H-pyrazol-5-yl acetate

V021-0830 Screening compound: 3-[4-(dimethylamino)phenyl]-1-(2,4-dimethylphenyl)-4-[4-(2-phenylacetamido)phenyl]-1H-pyrazol-5-yl acetate
V021-0830 Screening compound: 3-[4-(dimethylamino)phenyl]-1-(2,4-dimethylphenyl)-4-[4-(2-phenylacetamido)phenyl]-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0830
3-[4-(dimethylamino)phenyl]-1-(2,4-dimethylphenyl)-4-[4-(2-phenylacetamido)phenyl]-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

V021-0830

Molecular Formula

C35H34N4O3 (C35 H34 N4 O3)

Compound Name

3-[4-(dimethylamino)phenyl]-1-(2,4-dimethylphenyl)-4-[4-(2-phenylacetamido)phenyl]-1H-pyrazol-5-yl acetate

IUPAC name

3-[4-(dimethylamino)phenyl]-1-(24-dimethylphenyl)-4-[4-(2-phenylacetamido)phenyl]-1H-pyrazol-5-yl acetate

SMILES

CC(Oc(n(-c1c(C)cc(C)cc1)nc1-c(cc2)ccc2N(C)C)c1-c(cc1)ccc1NC(Cc1ccccc1)=O)=O

InChI

InChI=1S/C35H34N4O3/c1-23-11-20-31(24(2)21-23)39-35(42-25(3)40)33(34(37-39)28-14-18-30(19-15-28)38(4)5)27-12-16-29(17-13-27)36-32(41)22-26-9-7-6-8-10-26/h6-21H,22H2,1-5H3,(H,36,41)

InChI Key

NKJOUEQHOKAWPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19868896

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

558.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.170

Distribution Coefficient, logD

7.170

Water Solubility, LogSw

-5.63

Polar Surface Area

59.956

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.10

V021-0830 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V021-0830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0830?
Check Price and Availability of V021-0830, 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 V021-0830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0830
  • 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 V021-0830 available by request