8640-0233 Screening compound: 2-[(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-phenylacetamide

8640-0233 Screening compound: 2-[(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-phenylacetamide
8640-0233 Screening compound: 2-[(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0233
2-[(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-phenylacetamide

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

8640-0233

Molecular Formula

C26H24N4O3S (C26 H24 N4 O3 S)

Compound Name

2-[(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-phenylacetamide

IUPAC name

2-({1313-dimethyl-7-oxo-6-phenyl-12-oxa-246-triazatricyclo[8.4.0.0^{38}]tetradeca-1(10)248-tetraen-5-yl}sulfanyl)-N-phenylacetamide

SMILES

CC(C)(C1)OCc(cc2C(N3c4ccccc4)=O)c1nc2N=C3SCC(Nc1ccccc1)=O

InChI

InChI=1S/C26H24N4O3S/c1-26(2)14-21-17(15-33-26)13-20-23(28-21)29-25(30(24(20)32)19-11-7-4-8-12-19)34-16-22(31)27-18-9-5-3-6-10-18/h3-13H,14-16H2,1-2H3,(H,27,31)

InChI Key

SURJLUROENGXQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04010616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.146

Distribution Coefficient, logD

4.145

Water Solubility, LogSw

-4.30

Polar Surface Area

66.619

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8640-0233 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 8640-0233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0233?
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What is the minimum amount of 8640-0233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0233
  • 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 8640-0233 available by request