L849-0660 Screening compound: 2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-methyl-N-phenylacetamide

L849-0660 Screening compound: 2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-methyl-N-phenylacetamide
L849-0660 Screening compound: 2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-0660
2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-methyl-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

L849-0660

Molecular Formula

C23H24N6O2S (C23 H24 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C(CSc1nnc(-c2cn(C)nc2-c2cc(OC)ccc2)n1C)=O)c1ccccc1

InChI

InChI=1S/C23H24N6O2S/c1-27-14-19(21(26-27)16-9-8-12-18(13-16)31-4)22-24-25-23(29(22)3)32-15-20(30)28(2)17-10-6-5-7-11-17/h5-14H,15H2,1-4H3

InChI Key

XEGOVUYPQNQRBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.428

Distribution Coefficient, logD

2.428

Water Solubility, LogSw

-2.85

Polar Surface Area

62.792

Acid Dissociation Constant (pKa)

18.07

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with L849-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-0660?
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What is the minimum amount of L849-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-0660
  • 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 L849-0660 available by request