V014-0913 Screening compound: 3-{[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}-3-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]urea

V014-0913 Screening compound: 3-{[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}-3-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]urea
V014-0913 Screening compound: 3-{[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}-3-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0913
3-{[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}-3-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]urea

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

V014-0913

Molecular Formula

C31H40F4N6O (C31 H40 F4 N6 O)

Compound Name

3-{[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}-3-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]urea

IUPAC name

3-{[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}-3-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]urea

SMILES

CCc(c(CN(CC(C)C)C(Nc1cc(C(F)(F)F)ccc1)=O)c1N(CC2)CCN2C(C)C)nn1-c(cc1)ccc1F

InChI

InChI=1S/C31H40F4N6O/c1-6-28-27(20-40(19-21(2)3)30(42)36-25-9-7-8-23(18-25)31(33,34)35)29(39-16-14-38(15-17-39)22(4)5)41(37-28)26-12-10-24(32)11-13-26/h7-13,18,21-22H,6,14-17,19-20H2,1-5H3,(H,36,42)

InChI Key

NMUYQZLERIIQGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19942210

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

588.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.342

Distribution Coefficient, logD

4.913

Water Solubility, LogSw

-5.69

Polar Surface Area

46.499

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

9.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.40

References: we are preparing a list of scientific research reports with V014-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0913?
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What is the minimum amount of V014-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0913
  • 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 V014-0913 available by request