5461-0068 Screening compound: N-(4-acetylphenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide

5461-0068 Screening compound: N-(4-acetylphenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide
5461-0068 Screening compound: N-(4-acetylphenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5461-0068
N-(4-acetylphenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide

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

5461-0068

Molecular Formula

C17H19N3O3S (C17 H19 N3 O3 S)

Compound Name

N-(4-acetylphenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide

IUPAC name

N-(4-acetylphenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide

SMILES

CCCc1nc(SCC(Nc(cc2)ccc2C(C)=O)=O)nc(O)c1

InChI

InChI=1S/C17H19N3O3S/c1-3-4-14-9-15(22)20-17(19-14)24-10-16(23)18-13-7-5-12(6-8-13)11(2)21/h5-9H,3-4,10H2,1-2H3,(H,18,23)(H,19,20,22)

InChI Key

MJAIPLKVJWDUGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03487045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.849

Distribution Coefficient, logD

2.759

Water Solubility, LogSw

-3.20

Polar Surface Area

71.990

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

5461-0068 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5461-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5461-0068?
Check Price and Availability of 5461-0068, 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 5461-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5461-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5461-0068
  • 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 5461-0068 available by request