Y205-8349 Screening compound: 3-({[3-(anilinocarbonyl)-4-ethyl-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]octane-2-carboxylic acid

Y205-8349 Screening compound: 3-({[3-(anilinocarbonyl)-4-ethyl-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]octane-2-carboxylic acid
Y205-8349 Screening compound: 3-({[3-(anilinocarbonyl)-4-ethyl-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]octane-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-8349
3-({[3-(anilinocarbonyl)-4-ethyl-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]octane-2-carboxylic acid

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

Y205-8349

Molecular Formula

C24H28N2O4S (C24 H28 N2 O4 S)

Compound Name

3-({[3-(anilinocarbonyl)-4-ethyl-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]octane-2-carboxylic acid

IUPAC name

3-{[4-ethyl-5-methyl-3-(phenylcarbamoyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid

SMILES

CCc1c(C)sc(NC(C(C2CCC3CC2)C3C(O)=O)=O)c1C(Nc1ccccc1)=O

InChI

InChI=1S/C24H28N2O4S/c1-3-17-13(2)31-23(20(17)22(28)25-16-7-5-4-6-8-16)26-21(27)18-14-9-11-15(12-10-14)19(18)24(29)30/h4-8,14-15,18-19H,3,9-12H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)

InChI Key

KZXSFHJRRITBNS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.858

Distribution Coefficient, logD

2.238

Water Solubility, LogSw

-4.68

Polar Surface Area

74.736

Acid Dissociation Constant (pKa)

4.78

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.83

Y205-8349 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with Y205-8349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-8349?
Check Price and Availability of Y205-8349, 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 Y205-8349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-8349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-8349
  • 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 Y205-8349 available by request