V014-3061 Screening compound: ethyl 5-(4-chlorophenyl)-1-(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate

V014-3061 Screening compound: ethyl 5-(4-chlorophenyl)-1-(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate
V014-3061 Screening compound: ethyl 5-(4-chlorophenyl)-1-(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-3061
ethyl 5-(4-chlorophenyl)-1-(4-{[2-(3,4-dimethoxyphenyl)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

V014-3061

Molecular Formula

C29H28ClN3O5 (C29 H28 ClN3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1-c(cc2)ccc2Cl)nn1-c(cc1)ccc1C(NCCc(cc1)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C29H28ClN3O5/c1-4-38-29(35)24-18-25(20-6-10-22(30)11-7-20)33(32-24)23-12-8-21(9-13-23)28(34)31-16-15-19-5-14-26(36-2)27(17-19)37-3/h5-14,17-18H,4,15-16H2,1-3H3,(H,31,34)

InChI Key

JPHLXEMZZIMPMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19944874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.888

Distribution Coefficient, logD

4.888

Water Solubility, LogSw

-4.92

Polar Surface Area

73.331

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with V014-3061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-3061?
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What is the minimum amount of V014-3061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-3061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-3061
  • 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 V014-3061 available by request