E580-0014 Screening compound: 3-benzyl-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

E580-0014 Screening compound: 3-benzyl-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
E580-0014 Screening compound: 3-benzyl-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 E580-0014
3-benzyl-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

E580-0014

Molecular Formula

C21H25N3O2S2 (C21 H25 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1C(CSC(N(Cc1ccccc1)C1=O)=NC2=C1SCC2)=O

InChI

InChI=1S/C21H25N3O2S2/c1-15-7-10-23(11-8-15)18(25)14-28-21-22-17-9-12-27-19(17)20(26)24(21)13-16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3

InChI Key

ISTCBUBYILQUIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05963589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.107

Distribution Coefficient, logD

3.107

Water Solubility, LogSw

-3.23

Polar Surface Area

42.500

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

E580-0014 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E580-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E580-0014?
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What is the minimum amount of E580-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E580-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E580-0014
  • 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 E580-0014 available by request