L849-1252 Screening compound: 2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one

L849-1252 Screening compound: 2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one
L849-1252 Screening compound: 2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-1252
2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-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

L849-1252

Molecular Formula

C26H28N6O2S (C26 H28 N6 O2 S)

Compound Name

2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-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-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)ethan-1-one

SMILES

CCn1c(SCC(N2c(cc(C)cc3)c3OCC2)=O)nnc1-c1cn(C)nc1-c1ccc(C)cc1

InChI

InChI=1S/C26H28N6O2S/c1-5-31-25(20-15-30(4)29-24(20)19-9-6-17(2)7-10-19)27-28-26(31)35-16-23(33)32-12-13-34-22-11-8-18(3)14-21(22)32/h6-11,14-15H,5,12-13,16H2,1-4H3

InChI Key

NZOLDPFIRLXNOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.123

Distribution Coefficient, logD

4.123

Water Solubility, LogSw

-4.07

Polar Surface Area

62.058

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

L849-1252 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 L849-1252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-1252?
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What is the minimum amount of L849-1252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-1252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-1252
  • 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 L849-1252 available by request