D228-1816 Screening compound: 3-[(4-chlorophenyl)methyl]-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D228-1816 Screening compound: 3-[(4-chlorophenyl)methyl]-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D228-1816 Screening compound: 3-[(4-chlorophenyl)methyl]-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D228-1816
3-[(4-chlorophenyl)methyl]-6-(3,4-dimethoxyphenyl)-[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

D228-1816

Molecular Formula

C18H15ClN4O2S (C18 H15 ClN4 O2 S)

Compound Name

3-[(4-chlorophenyl)methyl]-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-[(4-chlorophenyl)methyl]-6-(34-dimethoxyphenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

COc(ccc(-c(s1)nn2c1nnc2Cc(cc1)ccc1Cl)c1)c1OC

InChI

InChI=1S/C18H15ClN4O2S/c1-24-14-8-5-12(10-15(14)25-2)17-22-23-16(20-21-18(23)26-17)9-11-3-6-13(19)7-4-11/h3-8,10H,9H2,1-2H3

InChI Key

KEXJHTQBGYYCMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05883974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

3.542

Water Solubility, LogSw

-4.00

Polar Surface Area

49.959

Acid Dissociation Constant (pKa)

24.67

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D228-1816 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D228-1816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D228-1816?
Check Price and Availability of D228-1816, 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 D228-1816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D228-1816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D228-1816
  • 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 D228-1816 available by request