V014-0654 Screening compound: 2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}(butyl)amino)-N-[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]acetamide

V014-0654 Screening compound: 2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}(butyl)amino)-N-[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]acetamide
V014-0654 Screening compound: 2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}(butyl)amino)-N-[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0654
2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}(butyl)amino)-N-[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]acetamide

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

V014-0654

Molecular Formula

C30H35F6N5O2 (C30 H35 F6 N5 O2)

Compound Name

2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}(butyl)amino)-N-[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]acetamide

IUPAC name

2-({[35-bis(trifluoromethyl)phenyl]carbamoyl}(butyl)amino)-N-[3-tert-butyl-1-(24-dimethylphenyl)-1H-pyrazol-5-yl]acetamide

SMILES

CCCCN(CC(Nc1cc(C(C)(C)C)nn1-c1c(C)cc(C)cc1)=O)C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=O

InChI

InChI=1S/C30H35F6N5O2/c1-7-8-11-40(27(43)37-22-14-20(29(31,32)33)13-21(15-22)30(34,35)36)17-26(42)38-25-16-24(28(4,5)6)39-41(25)23-10-9-18(2)12-19(23)3/h9-10,12-16H,7-8,11,17H2,1-6H3,(H,37,43)(H,38,42)

InChI Key

FNYMCFJGMOHYJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19714391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

611.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

9.105

Distribution Coefficient, logD

9.099

Water Solubility, LogSw

-5.75

Polar Surface Area

62.532

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.30

References: we are preparing a list of scientific research reports with V014-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0654?
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What is the minimum amount of V014-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0654
  • 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 V014-0654 available by request