E707-0009 Screening compound: 3-bromo-N-{2-[2-(4-methylphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}benzamide

E707-0009 Screening compound: 3-bromo-N-{2-[2-(4-methylphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}benzamide
E707-0009 Screening compound: 3-bromo-N-{2-[2-(4-methylphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E707-0009
3-bromo-N-{2-[2-(4-methylphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}benzamide

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

E707-0009

Molecular Formula

C20H17BrN4OS (C20 H17 BrN4 OS)

Compound Name

3-bromo-N-{2-[2-(4-methylphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}benzamide

IUPAC name

3-bromo-N-{2-[2-(4-methylphenyl)-[124]triazolo[32-b][13]thiazol-6-yl]ethyl}benzamide

SMILES

Cc(cc1)ccc1-c1nn(c(CCNC(c2cccc(Br)c2)=O)cs2)c2n1

InChI

InChI=1S/C20H17BrN4OS/c1-13-5-7-14(8-6-13)18-23-20-25(24-18)17(12-27-20)9-10-22-19(26)15-3-2-4-16(21)11-15/h2-8,11-12H,9-10H2,1H3,(H,22,26)

InChI Key

HKXXJAUZCFHSLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06707503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.795

Distribution Coefficient, logD

4.795

Water Solubility, LogSw

-4.53

Polar Surface Area

45.698

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E707-0009 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E707-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E707-0009?
Check Price and Availability of E707-0009, 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 E707-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E707-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E707-0009
  • 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 E707-0009 available by request