L849-1251 Screening compound: 2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

L849-1251 Screening compound: 2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
L849-1251 Screening compound: 2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-1251
2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)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

L849-1251

Molecular Formula

C26H28N6OS (C26 H28 N6 OS)

Compound Name

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

IUPAC name

2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-124-triazol-3-yl}sulfanyl)-1-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

CCn1c(SCC(N(CC2)Cc3c2cccc3)=O)nnc1-c1cn(C)nc1-c1ccc(C)cc1

InChI

InChI=1S/C26H28N6OS/c1-4-32-25(22-16-30(3)29-24(22)20-11-9-18(2)10-12-20)27-28-26(32)34-17-23(33)31-14-13-19-7-5-6-8-21(19)15-31/h5-12,16H,4,13-15,17H2,1-3H3

InChI Key

KFZBUGNOXKFZRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

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

4.096

Distribution Coefficient, logD

4.096

Water Solubility, LogSw

-3.97

Polar Surface Area

55.104

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with L849-1251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-1251?
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What is the minimum amount of L849-1251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-1251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-1251
  • 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 L849-1251 available by request