C280-1075 Screening compound: 3-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

C280-1075 Screening compound: 3-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
C280-1075 Screening compound: 3-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C280-1075
3-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

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

C280-1075

Molecular Formula

C14H19N3O2S2 (C14 H19 N3 O2 S2)

Compound Name

3-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H4H6H7H-thieno[32-d]pyrimidin-4-one

SMILES

CN(C1=O)C(SCC(N2CCCCC2)=O)=NC2=C1SCC2

InChI

InChI=1S/C14H19N3O2S2/c1-16-13(19)12-10(5-8-20-12)15-14(16)21-9-11(18)17-6-3-2-4-7-17/h2-9H2,1H3

InChI Key

SSJALTRUCFTSHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05939743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.924

Distribution Coefficient, logD

0.924

Water Solubility, LogSw

-1.22

Polar Surface Area

42.538

Acid Dissociation Constant (pKa)

27.57

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.30

C280-1075 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C280-1075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C280-1075?
Check Price and Availability of C280-1075, 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 C280-1075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C280-1075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C280-1075
  • 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 C280-1075 available by request