L849-0293 Screening compound: 2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide

L849-0293 Screening compound: 2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide
L849-0293 Screening compound: 2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-0293
2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-difluorophenyl)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

L849-0293

Molecular Formula

C22H19ClF2N6OS (C22 H19 ClF2 N6 OS)

Compound Name

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

IUPAC name

2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-124-triazol-3-yl}sulfanyl)-N-(24-difluorophenyl)acetamide

SMILES

CCn1c(SCC(Nc(ccc(F)c2)c2F)=O)nnc1-c1cn(C)nc1-c(cc1)ccc1Cl

InChI

InChI=1S/C22H19ClF2N6OS/c1-3-31-21(16-11-30(2)29-20(16)13-4-6-14(23)7-5-13)27-28-22(31)33-12-19(32)26-18-9-8-15(24)10-17(18)25/h4-11H,3,12H2,1-2H3,(H,26,32)

InChI Key

LZXPSLQZQFGPEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.95

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

3.963

Distribution Coefficient, logD

3.954

Water Solubility, LogSw

-4.37

Polar Surface Area

61.501

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

L849-0293 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Immune system

References: we are preparing a list of scientific research reports with L849-0293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-0293?
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What is the minimum amount of L849-0293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-0293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-0293
  • 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 L849-0293 available by request