4681-2942 Screening compound: 2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-6-phenyl-1,4-dihydropyrimidin-4-one

4681-2942 Screening compound: 2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-6-phenyl-1,4-dihydropyrimidin-4-one
4681-2942 Screening compound: 2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-6-phenyl-1,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4681-2942
2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-6-phenyl-1,4-dihydropyrimidin-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

4681-2942

Molecular Formula

C18H15ClN2O2S (C18 H15 ClN2 O2 S)

Compound Name

2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-6-phenyl-1,4-dihydropyrimidin-4-one

IUPAC name

2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-6-phenyl-14-dihydropyrimidin-4-one

SMILES

O=C(C=C(c1ccccc1)N1)N=C1SCCOc(cc1)ccc1Cl

InChI

InChI=1S/C18H15ClN2O2S/c19-14-6-8-15(9-7-14)23-10-11-24-18-20-16(12-17(22)21-18)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,21,22)

InChI Key

FTXRXVCLEQIZKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03103331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.148

Distribution Coefficient, logD

1.243

Water Solubility, LogSw

-4.64

Polar Surface Area

41.947

Acid Dissociation Constant (pKa)

4.50

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4681-2942 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4681-2942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4681-2942?
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What is the minimum amount of 4681-2942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4681-2942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4681-2942
  • 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 4681-2942 available by request