D727-0008 Screening compound: 6-[(4-bromophenoxy)methyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D727-0008 Screening compound: 6-[(4-bromophenoxy)methyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D727-0008 Screening compound: 6-[(4-bromophenoxy)methyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0008
6-[(4-bromophenoxy)methyl]-3-(4-methoxyphenyl)-[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

D727-0008

Molecular Formula

C17H13BrN4O2S (C17 H13 BrN4 O2 S)

Compound Name

6-[(4-bromophenoxy)methyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

6-[(4-bromophenoxy)methyl]-3-(4-methoxyphenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

COc(cc1)ccc1-c1nnc2sc(COc(cc3)ccc3Br)nn12

InChI

InChI=1S/C17H13BrN4O2S/c1-23-13-6-2-11(3-7-13)16-19-20-17-22(16)21-15(25-17)10-24-14-8-4-12(18)5-9-14/h2-9H,10H2,1H3

InChI Key

KDCBMVUCYRNWQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07396767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.29

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

4.260

Distribution Coefficient, logD

4.260

Water Solubility, LogSw

-4.30

Polar Surface Area

49.260

Acid Dissociation Constant (pKa)

30.89

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D727-0008 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D727-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0008?
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What is the minimum amount of D727-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0008
  • 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 D727-0008 available by request