L849-0857 Screening compound: 2-({4-ethyl-5-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide

L849-0857 Screening compound: 2-({4-ethyl-5-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
L849-0857 Screening compound: 2-({4-ethyl-5-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-0857
2-({4-ethyl-5-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide

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

L849-0857

Molecular Formula

C22H21FN6OS (C22 H21 FN6 OS)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(Nc2ccccc2)=O)nnc1-c1cn(C)nc1-c(cc1)ccc1F

InChI

InChI=1S/C22H21FN6OS/c1-3-29-21(18-13-28(2)27-20(18)15-9-11-16(23)12-10-15)25-26-22(29)31-14-19(30)24-17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3,(H,24,30)

InChI Key

JPXMWNLTJRIEAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

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

3.289

Distribution Coefficient, logD

3.289

Water Solubility, LogSw

-3.61

Polar Surface Area

62.199

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with L849-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-0857?
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What is the minimum amount of L849-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-0857
  • 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 L849-0857 available by request