V014-0145 Screening compound: 2-({[4-(4-fluorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide

V014-0145 Screening compound: 2-({[4-(4-fluorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
V014-0145 Screening compound: 2-({[4-(4-fluorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0145
2-({[4-(4-fluorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)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

V014-0145

Molecular Formula

C26H24F2N4OS (C26 H24 F2 N4 OS)

Compound Name

2-({[4-(4-fluorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide

IUPAC name

2-({[4-(4-fluorophenyl)-5-(propan-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide

SMILES

CC(C)c(n1-c(cc2)ccc2F)nnc1SCc(cccc1)c1C(NCc(cc1)ccc1F)=O

InChI

InChI=1S/C26H24F2N4OS/c1-17(2)24-30-31-26(32(24)22-13-11-21(28)12-14-22)34-16-19-5-3-4-6-23(19)25(33)29-15-18-7-9-20(27)10-8-18/h3-14,17H,15-16H2,1-2H3,(H,29,33)

InChI Key

DWDQVVCOPQBRBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27627570

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

478.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.634

Distribution Coefficient, logD

5.634

Water Solubility, LogSw

-5.42

Polar Surface Area

49.397

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with V014-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0145?
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What is the minimum amount of V014-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0145
  • 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 V014-0145 available by request