2515-5459 Screening compound: N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethylbenzamide

2515-5459 Screening compound: N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethylbenzamide
2515-5459 Screening compound: N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2515-5459
N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethylbenzamide

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

2515-5459

Molecular Formula

C18H17ClN4OS (C18 H17 ClN4 OS)

Compound Name

N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethylbenzamide

IUPAC name

N-{[4-(2-chlorophenyl)-5-sulfanylidene-45-dihydro-1H-124-triazol-3-yl]methyl}-34-dimethylbenzamide

SMILES

Cc(cc1)c(C)cc1C(NCC(N1c(cccc2)c2Cl)=NNC1=S)=O

InChI

InChI=1S/C18H17ClN4OS/c1-11-7-8-13(9-12(11)2)17(24)20-10-16-21-22-18(25)23(16)15-6-4-3-5-14(15)19/h3-9H,10H2,1-2H3,(H,20,24)(H,22,25)

InChI Key

UMPXNHGYSSHPIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04410064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.089

Distribution Coefficient, logD

1.466

Water Solubility, LogSw

-4.42

Polar Surface Area

51.213

Acid Dissociation Constant (pKa)

4.78

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 2515-5459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2515-5459?
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What is the minimum amount of 2515-5459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2515-5459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2515-5459
  • 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 2515-5459 available by request