L849-1316 Screening compound: N-methyl-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide

L849-1316 Screening compound: N-methyl-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
L849-1316 Screening compound: N-methyl-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-1316
N-methyl-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide

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

L849-1316

Molecular Formula

C23H24N6OS (C23 H24 N6 OS)

Compound Name

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

IUPAC name

N-methyl-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-124-triazol-3-yl}sulfanyl)-N-phenylacetamide

SMILES

Cc(cc1)ccc1-c1nn(C)cc1-c(n1C)nnc1SCC(N(C)c1ccccc1)=O

InChI

InChI=1S/C23H24N6OS/c1-16-10-12-17(13-11-16)21-19(14-27(2)26-21)22-24-25-23(29(22)4)31-15-20(30)28(3)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3

InChI Key

KDSGYEYZLQMQDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.703

Distribution Coefficient, logD

2.703

Water Solubility, LogSw

-3.10

Polar Surface Area

55.248

Acid Dissociation Constant (pKa)

18.07

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with L849-1316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-1316?
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What is the minimum amount of L849-1316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-1316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-1316
  • 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 L849-1316 available by request