D727-0456 Screening compound: 3-{3-[(4-bromophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-5-methylisoxazole

D727-0456 Screening compound: 3-{3-[(4-bromophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-5-methylisoxazole
D727-0456 Screening compound: 3-{3-[(4-bromophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-5-methylisoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0456
3-{3-[(4-bromophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-5-methylisoxazole

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

D727-0456

Molecular Formula

C14H10BrN5O2S (C14 H10 BrN5 O2 S)

Compound Name

3-{3-[(4-bromophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-5-methylisoxazole

IUPAC name

3-{3-[(4-bromophenoxy)methyl]-[124]triazolo[34-b][134]thiadiazol-6-yl}-5-methyl-12-oxazole

SMILES

Cc1cc(-c(s2)nn3c2nnc3COc(cc2)ccc2Br)no1

InChI

InChI=1S/C14H10BrN5O2S/c1-8-6-11(19-22-8)13-18-20-12(16-17-14(20)23-13)7-21-10-4-2-9(15)3-5-10/h2-6H,7H2,1H3

InChI Key

ZYBTYGSPDFGMKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09184492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.223

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.27

Polar Surface Area

63.425

Acid Dissociation Constant (pKa)

26.79

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

D727-0456 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D727-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0456?
Check Price and Availability of D727-0456, 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 D727-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0456
  • 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 D727-0456 available by request