Y205-6503 Screening compound: N~1~-cycloheptyl-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

Y205-6503 Screening compound: N~1~-cycloheptyl-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Y205-6503 Screening compound: N~1~-cycloheptyl-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-6503
N~1~-cycloheptyl-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

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

Y205-6503

Molecular Formula

C19H25N3O2S2 (C19 H25 N3 O2 S2)

Compound Name

N~1~-cycloheptyl-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

IUPAC name

N-cycloheptyl-2-({3-oxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl}sulfanyl)acetamide

SMILES

O=C(CSC(N1)=Nc(sc2c3CCCC2)c3C1=O)NC1CCCCCC1

InChI

InChI=1S/C19H25N3O2S2/c23-15(20-12-7-3-1-2-4-8-12)11-25-19-21-17(24)16-13-9-5-6-10-14(13)26-18(16)22-19/h12H,1-11H2,(H,20,23)(H,21,22,24)

InChI Key

LEDZIBSFXUIKFF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.982

Distribution Coefficient, logD

3.956

Water Solubility, LogSw

-4.24

Polar Surface Area

58.852

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

Y205-6503 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 Y205-6503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-6503?
Check Price and Availability of Y205-6503, 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 Y205-6503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-6503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-6503
  • 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 Y205-6503 available by request