Y204-0948 Screening compound: 2-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Y204-0948 Screening compound: 2-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Y204-0948 Screening compound: 2-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y204-0948
2-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophene-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

Y204-0948

Molecular Formula

C22H32N2O2S (C22 H32 N2 O2 S)

Compound Name

2-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-{bicyclo[2.2.1]heptane-2-amido}-6-(2-methylbutan-2-yl)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CCC(C)(C)C(CC1)Cc2c1c(C(N)=O)c(NC(C1C(CC3)CC3C1)=O)s2

InChI

InChI=1S/C22H32N2O2S/c1-4-22(2,3)14-7-8-15-17(11-14)27-21(18(15)19(23)25)24-20(26)16-10-12-5-6-13(16)9-12/h12-14,16H,4-11H2,1-3H3,(H2,23,25)(H,24,26)

InChI Key

NEEWECOJLDTDDK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.141

Distribution Coefficient, logD

3.195

Water Solubility, LogSw

-4.53

Polar Surface Area

57.948

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

72.73

Y204-0948 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with Y204-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y204-0948?
Check Price and Availability of Y204-0948, 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 Y204-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y204-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y204-0948
  • 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 Y204-0948 available by request