D319-0446 Screening compound: ethyl 4-(1,2,3-thiadiazole-4-amido)benzoate

D319-0446 Screening compound: ethyl 4-(1,2,3-thiadiazole-4-amido)benzoate
D319-0446 Screening compound: ethyl 4-(1,2,3-thiadiazole-4-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0446
ethyl 4-(1,2,3-thiadiazole-4-amido)benzoate

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

D319-0446

Molecular Formula

C12H11N3O3S (C12 H11 N3 O3 S)

Compound Name

ethyl 4-(1,2,3-thiadiazole-4-amido)benzoate

IUPAC name

ethyl 4-(123-thiadiazole-4-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1csnn1)=O)=O

InChI

InChI=1S/C12H11N3O3S/c1-2-18-12(17)8-3-5-9(6-4-8)13-11(16)10-7-19-15-14-10/h3-7H,2H2,1H3,(H,13,16)

InChI Key

QAEFNHCDQPLALQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08545862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.398

Distribution Coefficient, logD

2.396

Water Solubility, LogSw

-2.83

Polar Surface Area

65.689

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D319-0446 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 D319-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0446?
Check Price and Availability of D319-0446, 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 D319-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0446
  • 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 D319-0446 available by request