8011-0534 Screening compound: N-{5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3,4-dimethoxybenzamide

8011-0534 Screening compound: N-{5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3,4-dimethoxybenzamide
8011-0534 Screening compound: N-{5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0534
N-{5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3,4-dimethoxybenzamide

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

8011-0534

Molecular Formula

C18H16BrN3O4S (C18 H16 BrN3 O4 S)

Compound Name

N-{5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3,4-dimethoxybenzamide

IUPAC name

N-{5-[(4-bromophenoxy)methyl]-134-thiadiazol-2-yl}-34-dimethoxybenzamide

SMILES

COc(ccc(C(Nc1nnc(COc(cc2)ccc2Br)s1)=O)c1)c1OC

InChI

InChI=1S/C18H16BrN3O4S/c1-24-14-8-3-11(9-15(14)25-2)17(23)20-18-22-21-16(27-18)10-26-13-6-4-12(19)5-7-13/h3-9H,10H2,1-2H3,(H,20,22,23)

InChI Key

JNYGMNAPNZSGHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02647698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.006

Distribution Coefficient, logD

3.691

Water Solubility, LogSw

-4.24

Polar Surface Area

69.858

Acid Dissociation Constant (pKa)

7.37

Base Dissociation Constant (pKb)

-4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8011-0534 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0534?
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What is the minimum amount of 8011-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0534
  • 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 8011-0534 available by request