V004-9513 Screening compound: ethyl 5-(4-ethylphenyl)-1-(4-{[isobutyl(methyl)amino]carbonyl}phenyl)-1H-pyrazole-3-carboxylate

V004-9513 Screening compound: ethyl 5-(4-ethylphenyl)-1-(4-{[isobutyl(methyl)amino]carbonyl}phenyl)-1H-pyrazole-3-carboxylate
V004-9513 Screening compound: ethyl 5-(4-ethylphenyl)-1-(4-{[isobutyl(methyl)amino]carbonyl}phenyl)-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9513
ethyl 5-(4-ethylphenyl)-1-(4-{[isobutyl(methyl)amino]carbonyl}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

V004-9513

Molecular Formula

C26H31N3O3 (C26 H31 N3 O3)

Compound Name

ethyl 5-(4-ethylphenyl)-1-(4-{[isobutyl(methyl)amino]carbonyl}phenyl)-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 5-(4-ethylphenyl)-1-{4-[methyl(2-methylpropyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate

SMILES

CCc(cc1)ccc1-c1cc(C(OCC)=O)nn1-c(cc1)ccc1C(N(C)CC(C)C)=O

InChI

InChI=1S/C26H31N3O3/c1-6-19-8-10-20(11-9-19)24-16-23(26(31)32-7-2)27-29(24)22-14-12-21(13-15-22)25(30)28(5)17-18(3)4/h8-16,18H,6-7,17H2,1-5H3

InChI Key

WJSYEOAHIRQANX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.498

Distribution Coefficient, logD

5.498

Water Solubility, LogSw

-5.37

Polar Surface Area

50.237

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.62

V004-9513 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 V004-9513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9513?
Check Price and Availability of V004-9513, 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 V004-9513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9513
  • 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 V004-9513 available by request