Y200-3636 Screening compound: N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxo-2H-chromene-3-carboxamide

Y200-3636 Screening compound: N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxo-2H-chromene-3-carboxamide
Y200-3636 Screening compound: N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-3636
N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxo-2H-chromene-3-carboxamide

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

Y200-3636

Molecular Formula

C22H14N2O3S (C22 H14 N2 O3 S)

Compound Name

N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxo-2H-chromene-3-carboxamide

SMILES

Cc(sc(NC(C1=Cc(cccc2)c2OC1=O)=O)c1C#N)c1-c1ccccc1

InChI

InChI=1S/C22H14N2O3S/c1-13-19(14-7-3-2-4-8-14)17(12-23)21(28-13)24-20(25)16-11-15-9-5-6-10-18(15)27-22(16)26/h2-11H,1H3,(H,24,25)

InChI Key

QGJVXZSGAKTFMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03073341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.344

Distribution Coefficient, logD

2.955

Water Solubility, LogSw

-4.62

Polar Surface Area

60.830

Acid Dissociation Constant (pKa)

6.03

Base Dissociation Constant (pKb)

-8.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

Y200-3636 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with Y200-3636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-3636?
Check Price and Availability of Y200-3636, 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 Y200-3636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-3636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-3636
  • 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 Y200-3636 available by request