4112-3851 Screening compound: 2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-6-phenyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

4112-3851 Screening compound: 2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-6-phenyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
4112-3851 Screening compound: 2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-6-phenyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-3851
2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-6-phenyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-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

4112-3851

Molecular Formula

C24H22N2O3S2 (C24 H22 N2 O3 S2)

Compound Name

2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-6-phenyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-6-phenyl-3-(prop-2-en-1-yl)-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

COc1cccc(OCCSC(N2CC=C)=Nc(sc(-c3ccccc3)c3)c3C2=O)c1

InChI

InChI=1S/C24H22N2O3S2/c1-3-12-26-23(27)20-16-21(17-8-5-4-6-9-17)31-22(20)25-24(26)30-14-13-29-19-11-7-10-18(15-19)28-2/h3-11,15-16H,1,12-14H2,2H3

InChI Key

DELVZUFVGOGSRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02330133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.735

Distribution Coefficient, logD

5.735

Water Solubility, LogSw

-5.48

Polar Surface Area

40.613

Acid Dissociation Constant (pKa)

30.92

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 4112-3851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-3851?
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What is the minimum amount of 4112-3851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-3851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-3851
  • 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 4112-3851 available by request