8011-7653 Screening compound: 2-{[5-benzyl-4-hydroxy-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide

8011-7653 Screening compound: 2-{[5-benzyl-4-hydroxy-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide
8011-7653 Screening compound: 2-{[5-benzyl-4-hydroxy-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7653
2-{[5-benzyl-4-hydroxy-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide

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

8011-7653

Molecular Formula

C24H27N3O4S (C24 H27 N3 O4 S)

Compound Name

2-{[5-benzyl-4-hydroxy-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide

IUPAC name

2-{[5-benzyl-4-hydroxy-1-(4-methoxyphenyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-NN-diethylacetamide

SMILES

CCN(CC)C(CSC(N1c(cc2)ccc2OC)=NC(O)=C(Cc2ccccc2)C1=O)=O

InChI

InChI=1S/C24H27N3O4S/c1-4-26(5-2)21(28)16-32-24-25-22(29)20(15-17-9-7-6-8-10-17)23(30)27(24)18-11-13-19(31-3)14-12-18/h6-14,29H,4-5,15-16H2,1-3H3

InChI Key

YSDNBZIUVUEMGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02213040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.136

Distribution Coefficient, logD

-0.046

Water Solubility, LogSw

-3.24

Polar Surface Area

64.279

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

8011-7653 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8011-7653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7653?
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What is the minimum amount of 8011-7653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7653
  • 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 8011-7653 available by request