L849-1186 Screening compound: N-(2,6-dimethylphenyl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

L849-1186 Screening compound: N-(2,6-dimethylphenyl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
L849-1186 Screening compound: N-(2,6-dimethylphenyl)-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 L849-1186
N-(2,6-dimethylphenyl)-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

L849-1186

Molecular Formula

C25H28N6OS (C25 H28 N6 OS)

Compound Name

N-(2,6-dimethylphenyl)-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-(26-dimethylphenyl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

CCn1c(SCC(Nc2c(C)cccc2C)=O)nnc1-c1cn(C)nc1-c1ccc(C)cc1

InChI

InChI=1S/C25H28N6OS/c1-6-31-24(20-14-30(5)29-23(20)19-12-10-16(2)11-13-19)27-28-25(31)33-15-21(32)26-22-17(3)8-7-9-18(22)4/h7-14H,6,15H2,1-5H3,(H,26,32)

InChI Key

ZBQGARQVFCQKRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.060

Distribution Coefficient, logD

4.060

Water Solubility, LogSw

-3.97

Polar Surface Area

60.803

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L849-1186 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 L849-1186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-1186?
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What is the minimum amount of L849-1186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-1186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-1186
  • 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 L849-1186 available by request