Y203-5163 Screening compound: 5-bromo-N~2~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-furamide

Y203-5163 Screening compound: 5-bromo-N~2~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-furamide
Y203-5163 Screening compound: 5-bromo-N~2~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y203-5163
5-bromo-N~2~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-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

Y203-5163

Molecular Formula

C14H11BrN2O2S (C14 H11 BrN2 O2 S)

Compound Name

5-bromo-N~2~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-furamide

IUPAC name

5-bromo-N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide

SMILES

N#Cc1c(NC(c(o2)ccc2Br)=O)sc2c1CCCC2

InChI

InChI=1S/C14H11BrN2O2S/c15-12-6-5-10(19-12)13(18)17-14-9(7-16)8-3-1-2-4-11(8)20-14/h5-6H,1-4H2,(H,17,18)

InChI Key

ODBXUBSKIIGWJL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.22

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

3.814

Distribution Coefficient, logD

-0.179

Water Solubility, LogSw

-4.38

Polar Surface Area

49.027

Acid Dissociation Constant (pKa)

3.41

Base Dissociation Constant (pKb)

-6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

Y203-5163 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y203-5163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y203-5163?
Check Price and Availability of Y203-5163, 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 Y203-5163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y203-5163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y203-5163
  • 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 Y203-5163 available by request