V014-0652 Screening compound: N-(2-{[3-(tert-butyl)-1-(4-chlorophenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-chloro-N-isopentyl-2,2-dimethylpropanamide

V014-0652 Screening compound: N-(2-{[3-(tert-butyl)-1-(4-chlorophenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-chloro-N-isopentyl-2,2-dimethylpropanamide
V014-0652 Screening compound: N-(2-{[3-(tert-butyl)-1-(4-chlorophenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-chloro-N-isopentyl-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0652
N-(2-{[3-(tert-butyl)-1-(4-chlorophenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-chloro-N-isopentyl-2,2-dimethylpropanamide

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

V014-0652

Molecular Formula

C25H36Cl2N4O2 (C25 H36 Cl2 N4 O2)

Compound Name

N-(2-{[3-(tert-butyl)-1-(4-chlorophenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-chloro-N-isopentyl-2,2-dimethylpropanamide

IUPAC name

N-({[3-tert-butyl-1-(4-chlorophenyl)-1H-pyrazol-5-yl]carbamoyl}methyl)-3-chloro-22-dimethyl-N-(3-methylbutyl)propanamide

SMILES

CC(C)CCN(CC(Nc1cc(C(C)(C)C)nn1-c(cc1)ccc1Cl)=O)C(C(C)(C)CCl)=O

InChI

InChI=1S/C25H36Cl2N4O2/c1-17(2)12-13-30(23(33)25(6,7)16-26)15-22(32)28-21-14-20(24(3,4)5)29-31(21)19-10-8-18(27)9-11-19/h8-11,14,17H,12-13,15-16H2,1-7H3,(H,28,32)

InChI Key

FHIXIDYWWZTQTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19984616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.788

Distribution Coefficient, logD

6.787

Water Solubility, LogSw

-6.33

Polar Surface Area

54.284

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

References: we are preparing a list of scientific research reports with V014-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0652?
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What is the minimum amount of V014-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0652
  • 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 V014-0652 available by request