8013-7902 Screening compound: N~1~-(3,4-dichlorophenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

8013-7902 Screening compound: N~1~-(3,4-dichlorophenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
8013-7902 Screening compound: N~1~-(3,4-dichlorophenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7902
N~1~-(3,4-dichlorophenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

8013-7902

Molecular Formula

C24H20Cl2N4O2S (C24 H20 Cl2 N4 O2 S)

Compound Name

N~1~-(3,4-dichlorophenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(34-dichlorophenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

Cc(cc1)ccc1-n1c(SCC(Nc(cc2)cc(Cl)c2Cl)=O)nnc1COc1ccccc1

InChI

InChI=1S/C24H20Cl2N4O2S/c1-16-7-10-18(11-8-16)30-22(14-32-19-5-3-2-4-6-19)28-29-24(30)33-15-23(31)27-17-9-12-20(25)21(26)13-17/h2-13H,14-15H2,1H3,(H,27,31)

InChI Key

STLYZPBMMIYFSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03459779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.42

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

6.075

Distribution Coefficient, logD

6.068

Water Solubility, LogSw

-6.08

Polar Surface Area

56.337

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8013-7902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7902?
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What is the minimum amount of 8013-7902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7902
  • 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 8013-7902 available by request