V013-8076 Screening compound: N-({[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)nonanamide

V013-8076 Screening compound: N-({[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)nonanamide
V013-8076 Screening compound: N-({[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)nonanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-8076
N-({[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)nonanamide

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

V013-8076

Molecular Formula

C25H38N4O2 (C25 H38 N4 O2)

Compound Name

N-({[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)nonanamide

IUPAC name

N-({[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)nonanamide

SMILES

CCCCCCCCC(NCC(Nc1cc(C(C)(C)C)nn1-c1c(C)cccc1)=O)=O

InChI

InChI=1S/C25H38N4O2/c1-6-7-8-9-10-11-16-23(30)26-18-24(31)27-22-17-21(25(3,4)5)28-29(22)20-15-13-12-14-19(20)2/h12-15,17H,6-11,16,18H2,1-5H3,(H,26,30)(H,27,31)

InChI Key

AOKCCHKYYVNMGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19841749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.528

Distribution Coefficient, logD

6.527

Water Solubility, LogSw

-5.49

Polar Surface Area

61.993

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

References: we are preparing a list of scientific research reports with V013-8076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-8076?
Check Price and Availability of V013-8076, 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 V013-8076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-8076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-8076
  • 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 V013-8076 available by request