V015-5121 Screening compound: 4-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide

V015-5121 Screening compound: 4-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
V015-5121 Screening compound: 4-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-5121
4-({[4-(4-fluorophenyl)-5-methyl-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

V015-5121

Molecular Formula

C24H20F2N4OS (C24 H20 F2 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(n1-c(cc2)ccc2F)nnc1SCc(cc1)ccc1C(NCc(cc1)ccc1F)=O

InChI

InChI=1S/C24H20F2N4OS/c1-16-28-29-24(30(16)22-12-10-21(26)11-13-22)32-15-18-2-6-19(7-3-18)23(31)27-14-17-4-8-20(25)9-5-17/h2-13H,14-15H2,1H3,(H,27,31)

InChI Key

VDNGOZYYSSYTNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785793

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

450.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.518

Distribution Coefficient, logD

3.518

Water Solubility, LogSw

-3.78

Polar Surface Area

50.174

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V015-5121 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V015-5121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-5121?
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What is the minimum amount of V015-5121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-5121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-5121
  • 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 V015-5121 available by request