V014-1552 Screening compound: N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-hexylbenzamide

V014-1552 Screening compound: N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-hexylbenzamide
V014-1552 Screening compound: N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-hexylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-1552
N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-hexylbenzamide

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

V014-1552

Molecular Formula

C31H35ClN4O2S (C31 H35 ClN4 O2 S)

Compound Name

N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-hexylbenzamide

IUPAC name

N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-124-triazol-3-yl]methyl}-4-hexylbenzamide

SMILES

CCCCCCc(cc1)ccc1C(NCc(n1-c2c(C)ccc(Cl)c2)nnc1SCc1cc(OC)ccc1)=O

InChI

InChI=1S/C31H35ClN4O2S/c1-4-5-6-7-9-23-13-15-25(16-14-23)30(37)33-20-29-34-35-31(36(29)28-19-26(32)17-12-22(28)2)39-21-24-10-8-11-27(18-24)38-3/h8,10-19H,4-7,9,20-21H2,1-3H3,(H,33,37)

InChI Key

AZJYEPFWWXPUJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14240551

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

563.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.328

Distribution Coefficient, logD

8.328

Water Solubility, LogSw

-6.37

Polar Surface Area

57.616

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

References: we are preparing a list of scientific research reports with V014-1552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-1552?
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What is the minimum amount of V014-1552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-1552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-1552
  • 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 V014-1552 available by request