C280-1187 Screening compound: 3-(2-methoxyethyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

C280-1187 Screening compound: 3-(2-methoxyethyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
C280-1187 Screening compound: 3-(2-methoxyethyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C280-1187
3-(2-methoxyethyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]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

C280-1187

Molecular Formula

C17H25N3O3S2 (C17 H25 N3 O3 S2)

Compound Name

3-(2-methoxyethyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-(2-methoxyethyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H4H6H7H-thieno[32-d]pyrimidin-4-one

SMILES

CC(CC1)CCN1C(CSC(N(CCOC)C1=O)=NC2=C1SCC2)=O

InChI

InChI=1S/C17H25N3O3S2/c1-12-3-6-19(7-4-12)14(21)11-25-17-18-13-5-10-24-15(13)16(22)20(17)8-9-23-2/h12H,3-11H2,1-2H3

InChI Key

VNJCZGSBGHLGNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05939967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.326

Distribution Coefficient, logD

1.326

Water Solubility, LogSw

-1.62

Polar Surface Area

51.093

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.60

C280-1187 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C280-1187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C280-1187?
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What is the minimum amount of C280-1187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C280-1187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C280-1187
  • 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 C280-1187 available by request