L849-1264 Screening compound: N-(3-cyanophenyl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

L849-1264 Screening compound: N-(3-cyanophenyl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
L849-1264 Screening compound: N-(3-cyanophenyl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-1264
N-(3-cyanophenyl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)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

L849-1264

Molecular Formula

C24H23N7OS (C24 H23 N7 OS)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(Nc2cc(C#N)ccc2)=O)nnc1-c1cn(C)nc1-c1ccc(C)cc1

InChI

InChI=1S/C24H23N7OS/c1-4-31-23(20-14-30(3)29-22(20)18-10-8-16(2)9-11-18)27-28-24(31)33-15-21(32)26-19-7-5-6-17(12-19)13-25/h5-12,14H,4,15H2,1-3H3,(H,26,32)

InChI Key

ISOITZKLDLOFNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.736

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-3.73

Polar Surface Area

79.255

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with L849-1264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-1264?
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What is the minimum amount of L849-1264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-1264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-1264
  • 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 L849-1264 available by request