V003-4068 Screening compound: N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-(3,4-dimethylphenyl)pentanediamide

V003-4068 Screening compound: N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-(3,4-dimethylphenyl)pentanediamide
V003-4068 Screening compound: N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-(3,4-dimethylphenyl)pentanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4068
N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-(3,4-dimethylphenyl)pentanediamide

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

V003-4068

Molecular Formula

C27H34N4O2 (C27 H34 N4 O2)

Compound Name

N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-(3,4-dimethylphenyl)pentanediamide

IUPAC name

N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-(34-dimethylphenyl)pentanediamide

SMILES

CC(C)(C)c(cc1NC(CCCC(Nc2cc(C)c(C)cc2)=O)=O)nn1-c1ccc(C)cc1

InChI

InChI=1S/C27H34N4O2/c1-18-10-14-22(15-11-18)31-24(17-23(30-31)27(4,5)6)29-26(33)9-7-8-25(32)28-21-13-12-19(2)20(3)16-21/h10-17H,7-9H2,1-6H3,(H,28,32)(H,29,33)

InChI Key

MSHURHZEGPMHLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19728468

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.578

Distribution Coefficient, logD

5.578

Water Solubility, LogSw

-5.21

Polar Surface Area

60.701

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

V003-4068 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V003-4068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4068?
Check Price and Availability of V003-4068, 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 V003-4068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4068
  • 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 V003-4068 available by request