D360-0744 Screening compound: ethyl 4-{2-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]acetamido}benzoate

D360-0744 Screening compound: ethyl 4-{2-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]acetamido}benzoate
D360-0744 Screening compound: ethyl 4-{2-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D360-0744
ethyl 4-{2-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]acetamido}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

D360-0744

Molecular Formula

C23H19N3O3S (C23 H19 N3 O3 S)

Compound Name

ethyl 4-{2-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc1nc(-c2ccccc2)ccc1C#N)=O)=O

InChI

InChI=1S/C23H19N3O3S/c1-2-29-23(28)17-8-11-19(12-9-17)25-21(27)15-30-22-18(14-24)10-13-20(26-22)16-6-4-3-5-7-16/h3-13H,2,15H2,1H3,(H,25,27)

InChI Key

CWABEMSTRDZTBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06250214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.206

Distribution Coefficient, logD

5.206

Water Solubility, LogSw

-5.07

Polar Surface Area

69.402

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with D360-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D360-0744?
Check Price and Availability of D360-0744, 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 D360-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D360-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D360-0744
  • 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 D360-0744 available by request