D718-1326 Screening compound: N-{6-methyl-7-oxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl}-2-[(2-methylquinolin-4-yl)sulfanyl]acetamide

D718-1326 Screening compound: N-{6-methyl-7-oxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl}-2-[(2-methylquinolin-4-yl)sulfanyl]acetamide
D718-1326 Screening compound: N-{6-methyl-7-oxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl}-2-[(2-methylquinolin-4-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1326
N-{6-methyl-7-oxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl}-2-[(2-methylquinolin-4-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

D718-1326

Molecular Formula

C18H15N5O2S2 (C18 H15 N5 O2 S2)

Compound Name

N-{6-methyl-7-oxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl}-2-[(2-methylquinolin-4-yl)sulfanyl]acetamide

IUPAC name

N-{6-methyl-7-oxo-7H-[13]thiazolo[32-b][124]triazin-3-yl}-2-[(2-methylquinolin-4-yl)sulfanyl]acetamide

SMILES

Cc1nc2ccccc2c(SCC(NC(N2N=C3C)=CSC2=NC3=O)=O)c1

InChI

InChI=1S/C18H15N5O2S2/c1-10-7-14(12-5-3-4-6-13(12)19-10)26-9-16(24)20-15-8-27-18-21-17(25)11(2)22-23(15)18/h3-8H,9H2,1-2H3,(H,20,24)

InChI Key

ZMERJPTZPWTYCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12202422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.084

Distribution Coefficient, logD

2.057

Water Solubility, LogSw

-2.86

Polar Surface Area

66.947

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D718-1326 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D718-1326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1326?
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What is the minimum amount of D718-1326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1326
  • 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 D718-1326 available by request