L849-1769 Screening compound: 2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide

L849-1769 Screening compound: 2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
L849-1769 Screening compound: 2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-1769
2-{[4-methyl-5-(1-methyl-3-phenyl-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

L849-1769

Molecular Formula

C21H20N6OS (C21 H20 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cn(cc1-c(n2C)nnc2SCC(Nc2ccccc2)=O)nc1-c1ccccc1

InChI

InChI=1S/C21H20N6OS/c1-26-13-17(19(25-26)15-9-5-3-6-10-15)20-23-24-21(27(20)2)29-14-18(28)22-16-11-7-4-8-12-16/h3-13H,14H2,1-2H3,(H,22,28)

InChI Key

HBKAYAWDMCPETP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.541

Distribution Coefficient, logD

2.541

Water Solubility, LogSw

-3.11

Polar Surface Area

63.284

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

L849-1769 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with L849-1769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-1769?
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What is the minimum amount of L849-1769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-1769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-1769
  • 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 L849-1769 available by request