8008-6285 Screening compound: ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate

8008-6285 Screening compound: ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate
8008-6285 Screening compound: ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6285
ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-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

8008-6285

Molecular Formula

C13H13N3O3S (C13 H13 N3 O3 S)

Compound Name

ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate

IUPAC name

ethyl 2-(5-benzamido-134-thiadiazol-2-yl)acetate

SMILES

CCOC(Cc1nnc(NC(c2ccccc2)=O)s1)=O

InChI

InChI=1S/C13H13N3O3S/c1-2-19-11(17)8-10-15-16-13(20-10)14-12(18)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,14,16,18)

InChI Key

YHLYXPUXNXASDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.33

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

2.153

Distribution Coefficient, logD

1.766

Water Solubility, LogSw

-2.71

Polar Surface Area

67.529

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8008-6285 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8008-6285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6285?
Check Price and Availability of 8008-6285, 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 8008-6285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6285
  • 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 8008-6285 available by request