7009-0814 Screening compound: 3-benzyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

7009-0814 Screening compound: 3-benzyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
7009-0814 Screening compound: 3-benzyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7009-0814
3-benzyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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

7009-0814

Molecular Formula

C19H18N4O3S (C19 H18 N4 O3 S)

Compound Name

3-benzyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-benzyl-6-(345-trimethoxyphenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

COc1cc(-c(s2)nn3c2nnc3Cc2ccccc2)cc(OC)c1OC

InChI

InChI=1S/C19H18N4O3S/c1-24-14-10-13(11-15(25-2)17(14)26-3)18-22-23-16(20-21-19(23)27-18)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3

InChI Key

IWYDYJGOIQQJFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05088170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.981

Distribution Coefficient, logD

2.981

Water Solubility, LogSw

-3.19

Polar Surface Area

57.676

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

7009-0814 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7009-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7009-0814?
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What is the minimum amount of 7009-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7009-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7009-0814
  • 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 7009-0814 available by request