V012-0844 Screening compound: N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-4-phenoxybutanamide

V012-0844 Screening compound: N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-4-phenoxybutanamide
V012-0844 Screening compound: N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-4-phenoxybutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0844
N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-4-phenoxybutanamide

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

V012-0844

Molecular Formula

C24H26N4O2 (C24 H26 N4 O2)

Compound Name

N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-4-phenoxybutanamide

IUPAC name

N-[3-tert-butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl]-4-phenoxybutanamide

SMILES

CC(C)(C)c(cc1NC(CCCOc2ccccc2)=O)nn1-c(cc1)ccc1C#N

InChI

InChI=1S/C24H26N4O2/c1-24(2,3)21-16-22(28(27-21)19-13-11-18(17-25)12-14-19)26-23(29)10-7-15-30-20-8-5-4-6-9-20/h4-6,8-9,11-14,16H,7,10,15H2,1-3H3,(H,26,29)

InChI Key

QQBYXPOWJBMXKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-4.36

Polar Surface Area

62.025

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with V012-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0844?
Check Price and Availability of V012-0844, 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 V012-0844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0844
  • 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 V012-0844 available by request