D228-1509 Screening compound: 3-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D228-1509 Screening compound: 3-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D228-1509 Screening compound: 3-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D228-1509
3-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[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

D228-1509

Molecular Formula

C18H13ClN4O2S (C18 H13 ClN4 O2 S)

Compound Name

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

IUPAC name

3-[(4-chlorophenyl)methyl]-6-(23-dihydro-14-benzodioxin-6-yl)-[124]triazolo[34-b][134]thiadiazole

SMILES

Clc1ccc(Cc2nnc3sc(-c(cc4)cc5c4OCCO5)nn23)cc1

InChI

InChI=1S/C18H13ClN4O2S/c19-13-4-1-11(2-5-13)9-16-20-21-18-23(16)22-17(26-18)12-3-6-14-15(10-12)25-8-7-24-14/h1-6,10H,7-9H2

InChI Key

DPZHEJQXVLVUSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07428988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.980

Distribution Coefficient, logD

2.980

Water Solubility, LogSw

-3.50

Polar Surface Area

50.521

Acid Dissociation Constant (pKa)

24.67

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D228-1509 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D228-1509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D228-1509?
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What is the minimum amount of D228-1509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D228-1509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D228-1509
  • 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 D228-1509 available by request