7418-1963 Screening compound: N-(5-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2-methylphenyl)-2-phenoxyacetamide

7418-1963 Screening compound: N-(5-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2-methylphenyl)-2-phenoxyacetamide
7418-1963 Screening compound: N-(5-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2-methylphenyl)-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7418-1963
N-(5-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2-methylphenyl)-2-phenoxyacetamide

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

7418-1963

Molecular Formula

C20H19N5O2S (C20 H19 N5 O2 S)

Compound Name

N-(5-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2-methylphenyl)-2-phenoxyacetamide

IUPAC name

N-(5-{3-ethyl-[124]triazolo[34-b][134]thiadiazol-6-yl}-2-methylphenyl)-2-phenoxyacetamide

SMILES

CCc1nnc2sc(-c3cc(NC(COc4ccccc4)=O)c(C)cc3)nn12

InChI

InChI=1S/C20H19N5O2S/c1-3-17-22-23-20-25(17)24-19(28-20)14-10-9-13(2)16(11-14)21-18(26)12-27-15-7-5-4-6-8-15/h4-11H,3,12H2,1-2H3,(H,21,26)

InChI Key

IWUHKUNUUGQWHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05829743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.203

Distribution Coefficient, logD

3.203

Water Solubility, LogSw

-3.21

Polar Surface Area

64.648

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 7418-1963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7418-1963?
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What is the minimum amount of 7418-1963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7418-1963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7418-1963
  • 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 7418-1963 available by request