8007-8674 Screening compound: 6-amino-8-(2,4-dimethylphenyl)-2-methyl-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tricarbonitrile

8007-8674 Screening compound: 6-amino-8-(2,4-dimethylphenyl)-2-methyl-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tricarbonitrile
8007-8674 Screening compound: 6-amino-8-(2,4-dimethylphenyl)-2-methyl-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tricarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-8674
6-amino-8-(2,4-dimethylphenyl)-2-methyl-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tricarbonitrile

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

8007-8674

Molecular Formula

C21H21N5 (C21 H21 N5)

Compound Name

6-amino-8-(2,4-dimethylphenyl)-2-methyl-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tricarbonitrile

IUPAC name

6-amino-8-(24-dimethylphenyl)-2-methyl-123788a-hexahydroisoquinoline-577-tricarbonitrile

SMILES

Cc1cc(C)c(C(C2C(C(C#N)=C3N)=CCN(C)C2)C3(C#N)C#N)cc1

InChI

InChI=1S/C21H21N5/c1-13-4-5-15(14(2)8-13)19-18-10-26(3)7-6-16(18)17(9-22)20(25)21(19,11-23)12-24/h4-6,8,18-19H,7,10,25H2,1-3H3

InChI Key

QHMKIXUOAUYQTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00128644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.000

Distribution Coefficient, logD

3.000

Water Solubility, LogSw

-2.94

Polar Surface Area

75.765

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

8007-8674 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8007-8674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-8674?
Check Price and Availability of 8007-8674, 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 8007-8674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-8674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-8674
  • 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 8007-8674 available by request