D064-0181 Screening compound: bis(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0181 Screening compound: bis(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0181 Screening compound: bis(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0181
bis(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

D064-0181

Molecular Formula

C21H22N4O6S (C21 H22 N4 O6 S)

Compound Name

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

IUPAC name

bis(345-trimethoxyphenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

COc1cc(-c2nnc3sc(-c(cc4OC)cc(OC)c4OC)nn23)cc(OC)c1OC

InChI

InChI=1S/C21H22N4O6S/c1-26-13-7-11(8-14(27-2)17(13)30-5)19-22-23-21-25(19)24-20(32-21)12-9-15(28-3)18(31-6)16(10-12)29-4/h7-10H,1-6H3

InChI Key

OCCWMBOOOJNAPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04029922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.831

Distribution Coefficient, logD

2.831

Water Solubility, LogSw

-3.08

Polar Surface Area

79.677

Acid Dissociation Constant (pKa)

32.86

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D064-0181 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D064-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0181?
Check Price and Availability of D064-0181, 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 D064-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0181
  • 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 D064-0181 available by request