D319-0697 Screening compound: ethyl 4-(4-methyl-1,2,3-thiadiazole-5-amido)benzoate

D319-0697 Screening compound: ethyl 4-(4-methyl-1,2,3-thiadiazole-5-amido)benzoate
D319-0697 Screening compound: ethyl 4-(4-methyl-1,2,3-thiadiazole-5-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0697
ethyl 4-(4-methyl-1,2,3-thiadiazole-5-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

D319-0697

Molecular Formula

C13H13N3O3S (C13 H13 N3 O3 S)

Compound Name

ethyl 4-(4-methyl-1,2,3-thiadiazole-5-amido)benzoate

IUPAC name

ethyl 4-(4-methyl-123-thiadiazole-5-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1c(C)nns1)=O)=O

InChI

InChI=1S/C13H13N3O3S/c1-3-19-13(18)9-4-6-10(7-5-9)14-12(17)11-8(2)15-16-20-11/h4-7H,3H2,1-2H3,(H,14,17)

InChI Key

YPDCHSCXSRCQBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07194795

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

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.501

Distribution Coefficient, logD

2.471

Water Solubility, LogSw

-2.82

Polar Surface Area

66.527

Acid Dissociation Constant (pKa)

8.55

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D319-0697 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D319-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0697?
Check Price and Availability of D319-0697, 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 D319-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0697
  • 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 D319-0697 available by request