2529-0054 Screening compound: 2-{[2-(dimethylamino)ethyl]sulfanyl}-5-hexyl-6-hydroxy-3,4-dihydropyrimidin-4-one

2529-0054 Screening compound: 2-{[2-(dimethylamino)ethyl]sulfanyl}-5-hexyl-6-hydroxy-3,4-dihydropyrimidin-4-one
2529-0054 Screening compound: 2-{[2-(dimethylamino)ethyl]sulfanyl}-5-hexyl-6-hydroxy-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2529-0054
2-{[2-(dimethylamino)ethyl]sulfanyl}-5-hexyl-6-hydroxy-3,4-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

2529-0054

Molecular Formula

C14H25N3O2S (C14 H25 N3 O2 S)

Compound Name

2-{[2-(dimethylamino)ethyl]sulfanyl}-5-hexyl-6-hydroxy-3,4-dihydropyrimidin-4-one

IUPAC name

2-{[2-(dimethylamino)ethyl]sulfanyl}-5-hexyl-6-hydroxy-34-dihydropyrimidin-4-one

SMILES

CCCCCCC(C(NC(SCCN(C)C)=N1)=O)=C1O

InChI

InChI=1S/C14H25N3O2S/c1-4-5-6-7-8-11-12(18)15-14(16-13(11)19)20-10-9-17(2)3/h4-10H2,1-3H3,(H2,15,16,18,19)

InChI Key

ODACSRICRZESQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02224553

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

299.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.598

Distribution Coefficient, logD

2.598

Water Solubility, LogSw

-2.66

Polar Surface Area

54.809

Acid Dissociation Constant (pKa)

3.66

Base Dissociation Constant (pKb)

10.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

2529-0054 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2529-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2529-0054?
Check Price and Availability of 2529-0054, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2529-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2529-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2529-0054
  • 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 2529-0054 available by request