E580-0134 Screening compound: 2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

E580-0134 Screening compound: 2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
E580-0134 Screening compound: 2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E580-0134
2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-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

E580-0134

Molecular Formula

C22H27N3O2S2 (C22 H27 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1C(CSC(N(CCc1ccccc1)C1=O)=NC2=C1SCC2)=O

InChI

InChI=1S/C22H27N3O2S2/c1-16-7-11-24(12-8-16)19(26)15-29-22-23-18-10-14-28-20(18)21(27)25(22)13-9-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3

InChI Key

POLQZZOMLKLWCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05897459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.207

Distribution Coefficient, logD

3.207

Water Solubility, LogSw

-3.39

Polar Surface Area

42.479

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E580-0134 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 E580-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E580-0134?
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What is the minimum amount of E580-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E580-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E580-0134
  • 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 E580-0134 available by request