Y204-2450 Screening compound: N~1~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

Y204-2450 Screening compound: N~1~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
Y204-2450 Screening compound: N~1~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y204-2450
N~1~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

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

Y204-2450

Molecular Formula

C13H16N2OS (C13 H16 N2 OS)

Compound Name

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

IUPAC name

N-(3-cyano-6-methyl-4567-tetrahydro-1-benzothiophen-2-yl)propanamide

SMILES

CCC(Nc(sc1c2CCC(C)C1)c2C#N)=O

InChI

InChI=1S/C13H16N2OS/c1-3-12(16)15-13-10(7-14)9-5-4-8(2)6-11(9)17-13/h8H,3-6H2,1-2H3,(H,15,16)/t8-/m1/s1

InChI Key

RFIZXKQWWBSQHB-MRVPVSSYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.962

Distribution Coefficient, logD

1.833

Water Solubility, LogSw

-3.37

Polar Surface Area

40.159

Acid Dissociation Constant (pKa)

6.30

Base Dissociation Constant (pKb)

-4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.85

Y204-2450 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y204-2450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y204-2450?
Check Price and Availability of Y204-2450, 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 Y204-2450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y204-2450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y204-2450
  • 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 Y204-2450 available by request