V018-5921 Screening compound: 3-(3,4-dimethoxyphenyl)-4-[4-(4-fluorobenzamido)phenyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl acetate

V018-5921 Screening compound: 3-(3,4-dimethoxyphenyl)-4-[4-(4-fluorobenzamido)phenyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl acetate
V018-5921 Screening compound: 3-(3,4-dimethoxyphenyl)-4-[4-(4-fluorobenzamido)phenyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5921
3-(3,4-dimethoxyphenyl)-4-[4-(4-fluorobenzamido)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

V018-5921

Molecular Formula

C33H28FN3O5 (C33 H28 FN3 O5)

Compound Name

3-(3,4-dimethoxyphenyl)-4-[4-(4-fluorobenzamido)phenyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl acetate

IUPAC name

3-(34-dimethoxyphenyl)-4-[4-(4-fluorobenzamido)phenyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl acetate

SMILES

CC(Oc(n(-c1cc(C)ccc1)nc1-c(cc2)cc(OC)c2OC)c1-c(cc1)ccc1NC(c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C33H28FN3O5/c1-20-6-5-7-27(18-20)37-33(42-21(2)38)30(31(36-37)24-12-17-28(40-3)29(19-24)41-4)22-10-15-26(16-11-22)35-32(39)23-8-13-25(34)14-9-23/h5-19H,1-4H3,(H,35,39)

InChI Key

SCFFPCNMCBJZHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19979048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.324

Distribution Coefficient, logD

6.324

Water Solubility, LogSw

-5.62

Polar Surface Area

72.926

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

V018-5921 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 V018-5921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5921?
Check Price and Availability of V018-5921, 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 V018-5921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5921
  • 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 V018-5921 available by request