4819-0474 Screening compound: 3-(2-methylallyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

4819-0474 Screening compound: 3-(2-methylallyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
4819-0474 Screening compound: 3-(2-methylallyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4819-0474
3-(2-methylallyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

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

4819-0474

Molecular Formula

C23H24N2O2S2 (C23 H24 N2 O2 S2)

Compound Name

3-(2-methylallyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

4-(2-methylprop-2-en-1-yl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)5-trien-3-one

SMILES

CC(CN1C(SCC(c2ccccc2)=O)=Nc(sc2c3CCCCC2)c3C1=O)=C

InChI

InChI=1S/C23H24N2O2S2/c1-15(2)13-25-22(27)20-17-11-7-4-8-12-19(17)29-21(20)24-23(25)28-14-18(26)16-9-5-3-6-10-16/h3,5-6,9-10H,1,4,7-8,11-14H2,2H3

InChI Key

RPEMRCMIINTFNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03992551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.502

Distribution Coefficient, logD

5.502

Water Solubility, LogSw

-5.35

Polar Surface Area

39.443

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

4819-0474 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 4819-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4819-0474?
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What is the minimum amount of 4819-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4819-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4819-0474
  • 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 4819-0474 available by request