V027-9494 Screening compound: 3-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-[(pyridin-4-yl)methyl]benzamide

V027-9494 Screening compound: 3-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-[(pyridin-4-yl)methyl]benzamide
V027-9494 Screening compound: 3-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-[(pyridin-4-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9494
3-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-[(pyridin-4-yl)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

V027-9494

Molecular Formula

C30H24F3N5OS (C30 H24 F3 N5 OS)

Compound Name

3-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-[(pyridin-4-yl)methyl]benzamide

IUPAC name

3-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-124-triazol-3-yl}sulfanyl)methyl]-N-[(pyridin-4-yl)methyl]benzamide

SMILES

O=C(c1cccc(CSc2nnc(Cc3ccccc3)n2-c2cc(C(F)(F)F)ccc2)c1)NCc1ccncc1

InChI

InChI=1S/C30H24F3N5OS/c31-30(32,33)25-10-5-11-26(18-25)38-27(17-21-6-2-1-3-7-21)36-37-29(38)40-20-23-8-4-9-24(16-23)28(39)35-19-22-12-14-34-15-13-22/h1-16,18H,17,19-20H2,(H,35,39)

InChI Key

KPYUBJCKWDAWCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632408

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

559.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.003

Distribution Coefficient, logD

5.000

Water Solubility, LogSw

-4.86

Polar Surface Area

59.530

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

V027-9494 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V027-9494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9494?
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What is the minimum amount of V027-9494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9494
  • 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 V027-9494 available by request