Y205-7771 Screening compound: 5-{[3-[(cyclopropylamino)carbonyl]-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid

Y205-7771 Screening compound: 5-{[3-[(cyclopropylamino)carbonyl]-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid
Y205-7771 Screening compound: 5-{[3-[(cyclopropylamino)carbonyl]-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-7771
5-{[3-[(cyclopropylamino)carbonyl]-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid

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

Y205-7771

Molecular Formula

C23H34N2O4S (C23 H34 N2 O4 S)

Compound Name

5-{[3-[(cyclopropylamino)carbonyl]-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid

IUPAC name

4-{[3-(cyclopropylcarbamoyl)-6-(2-methylbutan-2-yl)-4567-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3-methylbutanoic acid

SMILES

CCC(C)(C)C(CC1)Cc2c1c(C(NC1CC1)=O)c(NC(CC(C)CC(O)=O)=O)s2

InChI

InChI=1S/C23H34N2O4S/c1-5-23(3,4)14-6-9-16-17(12-14)30-22(20(16)21(29)24-15-7-8-15)25-18(26)10-13(2)11-19(27)28/h13-15H,5-12H2,1-4H3,(H,24,29)(H,25,26)(H,27,28)

InChI Key

BCSRAGDDMONZKN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.510

Distribution Coefficient, logD

0.944

Water Solubility, LogSw

-3.72

Polar Surface Area

75.956

Acid Dissociation Constant (pKa)

4.83

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

69.57

Y205-7771 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y205-7771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-7771?
Check Price and Availability of Y205-7771, 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 Y205-7771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-7771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-7771
  • 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 Y205-7771 available by request