L849-0379 Screening compound: 2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide

L849-0379 Screening compound: 2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
L849-0379 Screening compound: 2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-0379
2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)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

L849-0379

Molecular Formula

C19H18ClN7OS2 (C19 H18 ClN7 OS2)

Compound Name

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

IUPAC name

2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-124-triazol-3-yl}sulfanyl)-N-(13-thiazol-2-yl)acetamide

SMILES

CCn1c(SCC(Nc2nccs2)=O)nnc1-c1cn(C)nc1-c(cc1)ccc1Cl

InChI

InChI=1S/C19H18ClN7OS2/c1-3-27-17(14-10-26(2)25-16(14)12-4-6-13(20)7-5-12)23-24-19(27)30-11-15(28)22-18-21-8-9-29-18/h4-10H,3,11H2,1-2H3,(H,21,22,28)

InChI Key

LASJSLRCUXJEHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.98

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

3.213

Distribution Coefficient, logD

3.212

Water Solubility, LogSw

-3.74

Polar Surface Area

72.677

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

L849-0379 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L849-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-0379?
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What is the minimum amount of L849-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-0379
  • 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 L849-0379 available by request