4072-2719 Screening compound: 3-(2-furylmethyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-imine

4072-2719 Screening compound: 3-(2-furylmethyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-imine
4072-2719 Screening compound: 3-(2-furylmethyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2719
3-(2-furylmethyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-imine

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

4072-2719

Molecular Formula

C16H17N3OS (C16 H17 N3 OS)

Compound Name

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

IUPAC name

4-[(furan-2-yl)methyl]-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)5-trien-3-imine

SMILES

N=C1N(Cc2ccco2)C=Nc2c1c(CCCCC1)c1s2

InChI

InChI=1S/C16H17N3OS/c17-15-14-12-6-2-1-3-7-13(12)21-16(14)18-10-19(15)9-11-5-4-8-20-11/h4-5,8,10,17H,1-3,6-7,9H2

InChI Key

IDGIBZRJBBBNTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.407

Distribution Coefficient, logD

-3.858

Water Solubility, LogSw

-3.82

Polar Surface Area

37.937

Acid Dissociation Constant (pKa)

25.57

Base Dissociation Constant (pKb)

14.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

4072-2719 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4072-2719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2719?
Check Price and Availability of 4072-2719, 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 4072-2719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2719
  • 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 4072-2719 available by request