D064-0177 Screening compound: 6-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0177 Screening compound: 6-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0177 Screening compound: 6-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0177
6-(2-methoxyphenyl)-3-(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

D064-0177

Molecular Formula

C19H18N4O4S (C19 H18 N4 O4 S)

Compound Name

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

IUPAC name

6-(2-methoxyphenyl)-3-(345-trimethoxyphenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

COc(cccc1)c1-c(s1)nn2c1nnc2-c(cc1OC)cc(OC)c1OC

InChI

InChI=1S/C19H18N4O4S/c1-24-13-8-6-5-7-12(13)18-22-23-17(20-21-19(23)28-18)11-9-14(25-2)16(27-4)15(10-11)26-3/h5-10H,1-4H3

InChI Key

PWKSUGJATWIKIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04017036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.938

Distribution Coefficient, logD

2.938

Water Solubility, LogSw

-3.46

Polar Surface Area

64.330

Acid Dissociation Constant (pKa)

32.83

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D064-0177 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D064-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0177?
Check Price and Availability of D064-0177, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D064-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0177
  • 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 D064-0177 available by request