3807-0864 Screening compound: 2-(pentylsulfanyl)-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

3807-0864 Screening compound: 2-(pentylsulfanyl)-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
3807-0864 Screening compound: 2-(pentylsulfanyl)-3-phenyl-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 3807-0864
2-(pentylsulfanyl)-3-phenyl-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

3807-0864

Molecular Formula

C22H26N2OS2 (C22 H26 N2 OS2)

Compound Name

2-(pentylsulfanyl)-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

5-(pentylsulfanyl)-4-phenyl-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)5-trien-3-one

SMILES

CCCCCSC(N1c2ccccc2)=Nc(sc2c3CCCCC2)c3C1=O

InChI

InChI=1S/C22H26N2OS2/c1-2-3-10-15-26-22-23-20-19(17-13-8-5-9-14-18(17)27-20)21(25)24(22)16-11-6-4-7-12-16/h4,6-7,11-12H,2-3,5,8-10,13-15H2,1H3

InChI Key

RYSVPJVRDSXVEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01875114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.720

Distribution Coefficient, logD

6.720

Water Solubility, LogSw

-5.76

Polar Surface Area

25.585

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

3807-0864 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 3807-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-0864?
Check Price and Availability of 3807-0864, 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 3807-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-0864
  • 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 3807-0864 available by request