4072-2706 Screening compound: 2-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-b]pyridin-4-amine

4072-2706 Screening compound: 2-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-b]pyridin-4-amine
4072-2706 Screening compound: 2-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-b]pyridin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2706
2-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-b]pyridin-4-amine

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

4072-2706

Molecular Formula

C21H24N2S (C21 H24 N2 S)

Compound Name

2-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-b]pyridin-4-amine

IUPAC name

5-phenyl-4-propyl-8-thia-6-azatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)35-tetraen-3-amine

SMILES

CCCc1c(-c2ccccc2)nc2sc(CCCCC3)c3c2c1N

InChI

InChI=1S/C21H24N2S/c1-2-9-16-19(22)18-15-12-7-4-8-13-17(15)24-21(18)23-20(16)14-10-5-3-6-11-14/h3,5-6,10-11H,2,4,7-9,12-13H2,1H3,(H2,22,23)

InChI Key

HQBRNJHYBFBRPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.5

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.609

Distribution Coefficient, logD

5.968

Water Solubility, LogSw

-6.15

Polar Surface Area

30.096

Acid Dissociation Constant (pKa)

20.59

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

4072-2706 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4072-2706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2706?
Check Price and Availability of 4072-2706, 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 4072-2706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2706
  • 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 4072-2706 available by request