6623-1028 Screening compound: N-[5-acetyl-6-(methylsulfanyl)-2-phenylpyrimidin-4-yl]propanamide

6623-1028 Screening compound: N-[5-acetyl-6-(methylsulfanyl)-2-phenylpyrimidin-4-yl]propanamide
6623-1028 Screening compound: N-[5-acetyl-6-(methylsulfanyl)-2-phenylpyrimidin-4-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-1028
N-[5-acetyl-6-(methylsulfanyl)-2-phenylpyrimidin-4-yl]propanamide

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

6623-1028

Molecular Formula

C16H17N3O2S (C16 H17 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-4-12(21)17-15-13(10(2)20)16(22-3)19-14(18-15)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,17,18,19,21)

InChI Key

PFCFIOYAOAMRCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01835513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.4

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

3.513

Distribution Coefficient, logD

2.980

Water Solubility, LogSw

-3.78

Polar Surface Area

56.285

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6623-1028 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6623-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-1028?
Check Price and Availability of 6623-1028, 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 6623-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-1028
  • 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 6623-1028 available by request