D048-0357 Screening compound: 6-amino-8-(4-bromophenyl)-2-methyl-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tricarbonitrile

D048-0357 Screening compound: 6-amino-8-(4-bromophenyl)-2-methyl-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tricarbonitrile
D048-0357 Screening compound: 6-amino-8-(4-bromophenyl)-2-methyl-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tricarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0357
6-amino-8-(4-bromophenyl)-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

D048-0357

Molecular Formula

C19H16BrN5 (C19 H16 BrN5)

Compound Name

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

IUPAC name

6-amino-8-(4-bromophenyl)-2-methyl-123788a-hexahydroisoquinoline-577-tricarbonitrile

SMILES

CN(CC1C(C2(C#N)C#N)c(cc3)ccc3Br)CC=C1C(C#N)=C2N

InChI

InChI=1S/C19H16BrN5/c1-25-7-6-14-15(8-21)18(24)19(10-22,11-23)17(16(14)9-25)12-2-4-13(20)5-3-12/h2-6,16-17H,7,9,24H2,1H3

InChI Key

USLDAJCEQPIJJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00128594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.27

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

2.750

Distribution Coefficient, logD

2.749

Water Solubility, LogSw

-2.93

Polar Surface Area

75.765

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.60

D048-0357 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 D048-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0357?
Check Price and Availability of D048-0357, 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 D048-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0357
  • 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 D048-0357 available by request