8005-2681 Screening compound: ethyl 2-[5-(3-methylbenzamido)-1,3,4-thiadiazol-2-yl]acetate

8005-2681 Screening compound: ethyl 2-[5-(3-methylbenzamido)-1,3,4-thiadiazol-2-yl]acetate
8005-2681 Screening compound: ethyl 2-[5-(3-methylbenzamido)-1,3,4-thiadiazol-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2681
ethyl 2-[5-(3-methylbenzamido)-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

8005-2681

Molecular Formula

C14H15N3O3S (C14 H15 N3 O3 S)

Compound Name

ethyl 2-[5-(3-methylbenzamido)-1,3,4-thiadiazol-2-yl]acetate

IUPAC name

ethyl 2-[5-(3-methylbenzamido)-134-thiadiazol-2-yl]acetate

SMILES

CCOC(Cc1nnc(NC(c2cc(C)ccc2)=O)s1)=O

InChI

InChI=1S/C14H15N3O3S/c1-3-20-12(18)8-11-16-17-14(21-11)15-13(19)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H,15,17,19)

InChI Key

SVJILNVEXXSWQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.36

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

2.629

Distribution Coefficient, logD

1.854

Water Solubility, LogSw

-2.91

Polar Surface Area

67.529

Acid Dissociation Constant (pKa)

6.70

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8005-2681 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8005-2681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2681?
Check Price and Availability of 8005-2681, 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 8005-2681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2681
  • 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 8005-2681 available by request