L849-1241 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

L849-1241 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
L849-1241 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-1241
1-(2,3-dihydro-1H-indol-1-yl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

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

L849-1241

Molecular Formula

C25H26N6OS (C25 H26 N6 OS)

Compound Name

1-(2,3-dihydro-1H-indol-1-yl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

IUPAC name

1-(23-dihydro-1H-indol-1-yl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-124-triazol-3-yl}sulfanyl)ethan-1-one

SMILES

CCn1c(SCC(N(CC2)c3c2cccc3)=O)nnc1-c1cn(C)nc1-c1ccc(C)cc1

InChI

InChI=1S/C25H26N6OS/c1-4-30-24(20-15-29(3)28-23(20)19-11-9-17(2)10-12-19)26-27-25(30)33-16-22(32)31-14-13-18-7-5-6-8-21(18)31/h5-12,15H,4,13-14,16H2,1-3H3

InChI Key

HUFYBVVVWDQJNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.975

Distribution Coefficient, logD

3.975

Water Solubility, LogSw

-3.92

Polar Surface Area

54.472

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L849-1241 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L849-1241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-1241?
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What is the minimum amount of L849-1241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-1241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-1241
  • 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 L849-1241 available by request