V006-5158 Screening compound: ethyl 1-[4-(butylcarbamoyl)phenyl]-5-(2-methylphenyl)-1H-pyrazole-3-carboxylate

V006-5158 Screening compound: ethyl 1-[4-(butylcarbamoyl)phenyl]-5-(2-methylphenyl)-1H-pyrazole-3-carboxylate
V006-5158 Screening compound: ethyl 1-[4-(butylcarbamoyl)phenyl]-5-(2-methylphenyl)-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5158
ethyl 1-[4-(butylcarbamoyl)phenyl]-5-(2-methylphenyl)-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

V006-5158

Molecular Formula

C24H27N3O3 (C24 H27 N3 O3)

Compound Name

ethyl 1-[4-(butylcarbamoyl)phenyl]-5-(2-methylphenyl)-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 1-[4-(butylcarbamoyl)phenyl]-5-(2-methylphenyl)-1H-pyrazole-3-carboxylate

SMILES

CCCCNC(c(cc1)ccc1-n(c(-c1c(C)cccc1)c1)nc1C(OCC)=O)=O

InChI

InChI=1S/C24H27N3O3/c1-4-6-15-25-23(28)18-11-13-19(14-12-18)27-22(20-10-8-7-9-17(20)3)16-21(26-27)24(29)30-5-2/h7-14,16H,4-6,15H2,1-3H3,(H,25,28)

InChI Key

XZQAOTMLPQCQHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

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

4.716

Distribution Coefficient, logD

4.716

Water Solubility, LogSw

-4.37

Polar Surface Area

58.342

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

V006-5158 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V006-5158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5158?
Check Price and Availability of V006-5158, 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 V006-5158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5158
  • 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 V006-5158 available by request