V014-8058 Screening compound: 4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[4-(propan-2-yl)phenyl]benzamide

V014-8058 Screening compound: 4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[4-(propan-2-yl)phenyl]benzamide
V014-8058 Screening compound: 4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[4-(propan-2-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8058
4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[4-(propan-2-yl)phenyl]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

V014-8058

Molecular Formula

C31H29N5OS (C31 H29 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1NC(c1ccc(CSc2nnc(-c3cnccc3)n2-c2ccc(C)cc2)cc1)=O

InChI

InChI=1S/C31H29N5OS/c1-21(2)24-12-14-27(15-13-24)33-30(37)25-10-8-23(9-11-25)20-38-31-35-34-29(26-5-4-18-32-19-26)36(31)28-16-6-22(3)7-17-28/h4-19,21H,20H2,1-3H3,(H,33,37)

InChI Key

FEGDSMXWVWDNQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19786792

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

519.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.224

Distribution Coefficient, logD

6.220

Water Solubility, LogSw

-5.28

Polar Surface Area

57.322

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

References: we are preparing a list of scientific research reports with V014-8058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8058?
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What is the minimum amount of V014-8058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8058
  • 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 V014-8058 available by request