6623-1029 Screening compound: N-[5-acetyl-6-(methylsulfanyl)-2-phenylpyrimidin-4-yl]-2-methylpropanamide

6623-1029 Screening compound: N-[5-acetyl-6-(methylsulfanyl)-2-phenylpyrimidin-4-yl]-2-methylpropanamide
6623-1029 Screening compound: N-[5-acetyl-6-(methylsulfanyl)-2-phenylpyrimidin-4-yl]-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-1029
N-[5-acetyl-6-(methylsulfanyl)-2-phenylpyrimidin-4-yl]-2-methylpropanamide

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

6623-1029

Molecular Formula

C17H19N3O2S (C17 H19 N3 O2 S)

Compound Name

N-[5-acetyl-6-(methylsulfanyl)-2-phenylpyrimidin-4-yl]-2-methylpropanamide

IUPAC name

N-[5-acetyl-6-(methylsulfanyl)-2-phenylpyrimidin-4-yl]-2-methylpropanamide

SMILES

CC(C)C(Nc1c(C(C)=O)c(SC)nc(-c2ccccc2)n1)=O

InChI

InChI=1S/C17H19N3O2S/c1-10(2)16(22)19-15-13(11(3)21)17(23-4)20-14(18-15)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,18,19,20,22)

InChI Key

HOOYMSMHALVFTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02029044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.109

Distribution Coefficient, logD

3.385

Water Solubility, LogSw

-4.29

Polar Surface Area

56.499

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

6623-1029 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6623-1029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-1029?
Check Price and Availability of 6623-1029, 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 6623-1029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-1029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-1029
  • 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 6623-1029 available by request