K808-8794 Screening compound: ethyl 2-[2-(5-bromofuran-2-amido)-1,3-thiazol-4-yl]acetate

K808-8794 Screening compound: ethyl 2-[2-(5-bromofuran-2-amido)-1,3-thiazol-4-yl]acetate
K808-8794 Screening compound: ethyl 2-[2-(5-bromofuran-2-amido)-1,3-thiazol-4-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K808-8794
ethyl 2-[2-(5-bromofuran-2-amido)-1,3-thiazol-4-yl]acetate

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

K808-8794

Molecular Formula

C12H11BrN2O4S (C12 H11 BrN2 O4 S)

Compound Name

ethyl 2-[2-(5-bromofuran-2-amido)-1,3-thiazol-4-yl]acetate

IUPAC name

ethyl 2-[2-(5-bromofuran-2-amido)-13-thiazol-4-yl]acetate

SMILES

CCOC(Cc1csc(NC(c(o2)ccc2Br)=O)n1)=O

InChI

InChI=1S/C12H11BrN2O4S/c1-2-18-10(16)5-7-6-20-12(14-7)15-11(17)8-3-4-9(13)19-8/h3-4,6H,2,5H2,1H3,(H,14,15,17)

InChI Key

INUUCBPOYFBPCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03477732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.063

Distribution Coefficient, logD

2.354

Water Solubility, LogSw

-3.34

Polar Surface Area

62.956

Acid Dissociation Constant (pKa)

6.79

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K808-8794 in Drug Discovery

Included in Screening Libraries

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

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K808-8794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K808-8794?
Check Price and Availability of K808-8794, 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 K808-8794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K808-8794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K808-8794
  • 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 K808-8794 available by request