V006-5176 Screening compound: ethyl 5-(3,4-dimethylphenyl)-1-(4-{[2-(4-fluorophenyl)ethyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate

V006-5176 Screening compound: ethyl 5-(3,4-dimethylphenyl)-1-(4-{[2-(4-fluorophenyl)ethyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate
V006-5176 Screening compound: ethyl 5-(3,4-dimethylphenyl)-1-(4-{[2-(4-fluorophenyl)ethyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5176
ethyl 5-(3,4-dimethylphenyl)-1-(4-{[2-(4-fluorophenyl)ethyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate

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

V006-5176

Molecular Formula

C29H28FN3O3 (C29 H28 FN3 O3)

Compound Name

ethyl 5-(3,4-dimethylphenyl)-1-(4-{[2-(4-fluorophenyl)ethyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 5-(34-dimethylphenyl)-1-(4-{[2-(4-fluorophenyl)ethyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate

SMILES

CCOC(c(cc1-c2cc(C)c(C)cc2)nn1-c(cc1)ccc1C(NCCc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C29H28FN3O3/c1-4-36-29(35)26-18-27(23-8-5-19(2)20(3)17-23)33(32-26)25-13-9-22(10-14-25)28(34)31-16-15-21-6-11-24(30)12-7-21/h5-14,17-18H,4,15-16H2,1-3H3,(H,31,34)

InChI Key

RFAHTHHZXXCIAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19953434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.668

Distribution Coefficient, logD

5.668

Water Solubility, LogSw

-5.37

Polar Surface Area

58.070

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

V006-5176 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 V006-5176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5176?
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What is the minimum amount of V006-5176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5176
  • 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 V006-5176 available by request