Y203-8162 Screening compound: 5-bromo-N~2~-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-furamide

Y203-8162 Screening compound: 5-bromo-N~2~-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-furamide
Y203-8162 Screening compound: 5-bromo-N~2~-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y203-8162
5-bromo-N~2~-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-furamide

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

Y203-8162

Molecular Formula

C16H15BrN2O2S (C16 H15 BrN2 O2 S)

Compound Name

5-bromo-N~2~-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-furamide

IUPAC name

5-bromo-N-{3-cyano-4H5H6H7H8H9H-cycloocta[b]thiophen-2-yl}furan-2-carboxamide

SMILES

N#Cc1c(NC(c(o2)ccc2Br)=O)sc2c1CCCCCC2

InChI

InChI=1S/C16H15BrN2O2S/c17-14-8-7-12(21-14)15(20)19-16-11(9-18)10-5-3-1-2-4-6-13(10)22-16/h7-8H,1-6H2,(H,19,20)

InChI Key

BATWUJPVIFTMJY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.806

Distribution Coefficient, logD

0.813

Water Solubility, LogSw

-4.74

Polar Surface Area

49.358

Acid Dissociation Constant (pKa)

3.41

Base Dissociation Constant (pKb)

-6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

Y203-8162 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y203-8162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y203-8162?
Check Price and Availability of Y203-8162, 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 Y203-8162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y203-8162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y203-8162
  • 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 Y203-8162 available by request