D718-1323 Screening compound: N-{6-methyl-7-oxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl}-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

D718-1323 Screening compound: N-{6-methyl-7-oxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl}-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
D718-1323 Screening compound: N-{6-methyl-7-oxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl}-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1323
N-{6-methyl-7-oxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl}-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-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

D718-1323

Molecular Formula

C15H12N8O2S2 (C15 H12 N8 O2 S2)

Compound Name

N-{6-methyl-7-oxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl}-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

IUPAC name

N-{6-methyl-7-oxo-7H-[13]thiazolo[32-b][124]triazin-3-yl}-2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]acetamide

SMILES

CC1=NN(C(NC(CSc2nnnn2-c2ccccc2)=O)=CS2)C2=NC1=O

InChI

InChI=1S/C15H12N8O2S2/c1-9-13(25)17-14-23(19-9)11(7-26-14)16-12(24)8-27-15-18-20-21-22(15)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,24)

InChI Key

WEMIEZZIDMNNDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12199361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.980

Distribution Coefficient, logD

0.978

Water Solubility, LogSw

-2.19

Polar Surface Area

98.732

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D718-1323 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D718-1323 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D718-1323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1323
  • 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 D718-1323 available by request