8006-4435 Screening compound: 6-amino-2-benzyl-5,7-dicyano-8-(2,3-difluorophenyl)-2,3,8,8a-tetrahydro-7(1H)-isoquinolinyl cyanide

8006-4435 Screening compound: 6-amino-2-benzyl-5,7-dicyano-8-(2,3-difluorophenyl)-2,3,8,8a-tetrahydro-7(1H)-isoquinolinyl cyanide
8006-4435 Screening compound: 6-amino-2-benzyl-5,7-dicyano-8-(2,3-difluorophenyl)-2,3,8,8a-tetrahydro-7(1H)-isoquinolinyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4435
6-amino-2-benzyl-5,7-dicyano-8-(2,3-difluorophenyl)-2,3,8,8a-tetrahydro-7(1H)-isoquinolinyl cyanide

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

8006-4435

Molecular Formula

C25H19F2N5 (C25 H19 F2 N5)

Compound Name

6-amino-2-benzyl-5,7-dicyano-8-(2,3-difluorophenyl)-2,3,8,8a-tetrahydro-7(1H)-isoquinolinyl cyanide

IUPAC name

6-amino-2-benzyl-8-(23-difluorophenyl)-123788a-hexahydroisoquinoline-577-tricarbonitrile

SMILES

NC(C(C(C1C2=CCN(Cc3ccccc3)C1)c1cccc(F)c1F)(C#N)C#N)=C2C#N

InChI

InChI=1S/C25H19F2N5/c26-21-8-4-7-18(23(21)27)22-20-13-32(12-16-5-2-1-3-6-16)10-9-17(20)19(11-28)24(31)25(22,14-29)15-30/h1-9,20,22H,10,12-13,31H2

InChI Key

GXNBETHUGWALMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03066102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.824

Distribution Coefficient, logD

3.824

Water Solubility, LogSw

-4.29

Polar Surface Area

75.829

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 8006-4435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4435?
Check Price and Availability of 8006-4435, 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 8006-4435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4435
  • 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 8006-4435 available by request