L849-0689 Screening compound: N-(2,6-dimethylphenyl)-2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

L849-0689 Screening compound: N-(2,6-dimethylphenyl)-2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
L849-0689 Screening compound: N-(2,6-dimethylphenyl)-2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-0689
N-(2,6-dimethylphenyl)-2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-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

L849-0689

Molecular Formula

C24H26N6O2S (C24 H26 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C)c1NC(CSc1nnc(-c2cn(C)nc2-c2cc(OC)ccc2)n1C)=O

InChI

InChI=1S/C24H26N6O2S/c1-15-8-6-9-16(2)21(15)25-20(31)14-33-24-27-26-23(30(24)4)19-13-29(3)28-22(19)17-10-7-11-18(12-17)32-5/h6-13H,14H2,1-5H3,(H,25,31)

InChI Key

GHOXJGWSQIBTIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.171

Distribution Coefficient, logD

3.171

Water Solubility, LogSw

-3.23

Polar Surface Area

69.432

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L849-0689 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 L849-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-0689?
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What is the minimum amount of L849-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-0689
  • 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 L849-0689 available by request