Y204-1196 Screening compound: 2-{[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]carbonyl}-1-cyclohexanecarboxylic acid

Y204-1196 Screening compound: 2-{[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]carbonyl}-1-cyclohexanecarboxylic acid
Y204-1196 Screening compound: 2-{[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]carbonyl}-1-cyclohexanecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y204-1196
2-{[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]carbonyl}-1-cyclohexanecarboxylic 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

Y204-1196

Molecular Formula

C19H24N2O3S (C19 H24 N2 O3 S)

Compound Name

2-{[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]carbonyl}-1-cyclohexanecarboxylic acid

IUPAC name

2-({3-cyano-4H5H6H7H8H9H-cycloocta[b]thiophen-2-yl}carbamoyl)cyclohexane-1-carboxylic acid

SMILES

N#Cc1c(NC(C(CCCC2)C2C(O)=O)=O)sc2c1CCCCCC2

InChI

InChI=1S/C19H24N2O3S/c20-11-15-12-7-3-1-2-4-10-16(12)25-18(15)21-17(22)13-8-5-6-9-14(13)19(23)24/h13-14H,1-10H2,(H,21,22)(H,23,24)

InChI Key

QSFQDICYVNWTAA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.952

Distribution Coefficient, logD

1.302

Water Solubility, LogSw

-4.13

Polar Surface Area

69.032

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.16

References: we are preparing a list of scientific research reports with Y204-1196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y204-1196?
Check Price and Availability of Y204-1196, 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 Y204-1196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y204-1196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y204-1196
  • 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 Y204-1196 available by request