D064-0012 Screening compound: 3-(2-bromophenyl)-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0012 Screening compound: 3-(2-bromophenyl)-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0012 Screening compound: 3-(2-bromophenyl)-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0012
3-(2-bromophenyl)-6-[(2-ethoxyphenoxy)methyl]-[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

D064-0012

Molecular Formula

C18H15BrN4O2S (C18 H15 BrN4 O2 S)

Compound Name

3-(2-bromophenyl)-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-(2-bromophenyl)-6-[(2-ethoxyphenoxy)methyl]-[124]triazolo[34-b][134]thiadiazole

SMILES

CCOc(cccc1)c1OCc(s1)nn2c1nnc2-c(cccc1)c1Br

InChI

InChI=1S/C18H15BrN4O2S/c1-2-24-14-9-5-6-10-15(14)25-11-16-22-23-17(20-21-18(23)26-16)12-7-3-4-8-13(12)19/h3-10H,2,11H2,1H3

InChI Key

LDULMVJLDKONHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06590528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.621

Distribution Coefficient, logD

3.621

Water Solubility, LogSw

-3.82

Polar Surface Area

49.013

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D064-0012 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D064-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0012?
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What is the minimum amount of D064-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0012
  • 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 D064-0012 available by request