L849-1245 Screening compound: N-[(2-chlorophenyl)methyl]-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

L849-1245 Screening compound: N-[(2-chlorophenyl)methyl]-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
L849-1245 Screening compound: N-[(2-chlorophenyl)methyl]-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-1245
N-[(2-chlorophenyl)methyl]-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-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

L849-1245

Molecular Formula

C24H25ClN6OS (C24 H25 ClN6 OS)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(NCc(cccc2)c2Cl)=O)nnc1-c1cn(C)nc1-c1ccc(C)cc1

InChI

InChI=1S/C24H25ClN6OS/c1-4-31-23(19-14-30(3)29-22(19)17-11-9-16(2)10-12-17)27-28-24(31)33-15-21(32)26-13-18-7-5-6-8-20(18)25/h5-12,14H,4,13,15H2,1-3H3,(H,26,32)

InChI Key

VULWDVDDWMSFAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.339

Distribution Coefficient, logD

4.339

Water Solubility, LogSw

-4.47

Polar Surface Area

63.521

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L849-1245 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system

References: we are preparing a list of scientific research reports with L849-1245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-1245?
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What is the minimum amount of L849-1245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-1245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-1245
  • 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 L849-1245 available by request