D727-0323 Screening compound: 3-methyl-7-[(naphthalen-1-yloxy)methyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

D727-0323 Screening compound: 3-methyl-7-[(naphthalen-1-yloxy)methyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
D727-0323 Screening compound: 3-methyl-7-[(naphthalen-1-yloxy)methyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0323
3-methyl-7-[(naphthalen-1-yloxy)methyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

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

D727-0323

Molecular Formula

C16H12N4O2S (C16 H12 N4 O2 S)

Compound Name

3-methyl-7-[(naphthalen-1-yloxy)methyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

IUPAC name

3-methyl-7-[(naphthalen-1-yloxy)methyl]-4H-[134]thiadiazolo[23-c][124]triazin-4-one

SMILES

CC1=NN=C2SC(COc3cccc4ccccc34)=NN2C1=O

InChI

InChI=1S/C16H12N4O2S/c1-10-15(21)20-16(18-17-10)23-14(19-20)9-22-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3

InChI Key

YECUOABVTLKPAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08743779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.741

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-3.90

Polar Surface Area

54.488

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D727-0323 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D727-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0323?
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What is the minimum amount of D727-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0323
  • 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 D727-0323 available by request