S336-0495F Screening compound: N-(3-chloro-4-methylphenyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetamide

S336-0495F Screening compound: N-(3-chloro-4-methylphenyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetamide
S336-0495F Screening compound: N-(3-chloro-4-methylphenyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S336-0495F
N-(3-chloro-4-methylphenyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}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

S336-0495F

Molecular Formula

C15H17ClN4O2 (C15 H17 ClN4 O2)

Compound Name

N-(3-chloro-4-methylphenyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-{3-oxo-2H3H5H6H7H8H-[124]triazolo[43-a]pyridin-2-yl}acetamide

SMILES

Cc(ccc(NC(CN1N=C(CCCC2)N2C1=O)=O)c1)c1Cl

InChI

InChI=1S/C15H17ClN4O2/c1-10-5-6-11(8-12(10)16)17-14(21)9-20-15(22)19-7-3-2-4-13(19)18-20/h5-6,8H,2-4,7,9H2,1H3,(H,17,21)

InChI Key

MGOQTJRYIDPRCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.138

Distribution Coefficient, logD

3.138

Water Solubility, LogSw

-3.40

Polar Surface Area

56.334

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with S336-0495F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S336-0495F?
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What is the minimum amount of S336-0495F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S336-0495F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S336-0495F
  • 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 S336-0495F available by request