V014-2136 Screening compound: 4-[3-(naphthalen-1-yl)-1H-pyrazol-5-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}benzamide

V014-2136 Screening compound: 4-[3-(naphthalen-1-yl)-1H-pyrazol-5-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}benzamide
V014-2136 Screening compound: 4-[3-(naphthalen-1-yl)-1H-pyrazol-5-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-2136
4-[3-(naphthalen-1-yl)-1H-pyrazol-5-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}benzamide

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

V014-2136

Molecular Formula

C28H20F3N3O (C28 H20 F3 N3 O)

Compound Name

4-[3-(naphthalen-1-yl)-1H-pyrazol-5-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}benzamide

IUPAC name

4-[3-(naphthalen-1-yl)-1H-pyrazol-5-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}benzamide

SMILES

O=C(c(cc1)ccc1-c1cc(-c2cccc3ccccc23)n[nH]1)NCc1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C28H20F3N3O/c29-28(30,31)22-14-8-18(9-15-22)17-32-27(35)21-12-10-20(11-13-21)25-16-26(34-33-25)24-7-3-5-19-4-1-2-6-23(19)24/h1-16H,17H2,(H,32,35)(H,33,34)

InChI Key

PXYDWPSPIVDGMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19954045

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

471.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.505

Distribution Coefficient, logD

6.505

Water Solubility, LogSw

-7.11

Polar Surface Area

46.598

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with V014-2136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-2136?
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What is the minimum amount of V014-2136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-2136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-2136
  • 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 V014-2136 available by request