8003-4523 Screening compound: 6-amino-8-(3-methoxyphenyl)-2-(propan-2-yl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tricarbonitrile

8003-4523 Screening compound: 6-amino-8-(3-methoxyphenyl)-2-(propan-2-yl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tricarbonitrile
8003-4523 Screening compound: 6-amino-8-(3-methoxyphenyl)-2-(propan-2-yl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tricarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4523
6-amino-8-(3-methoxyphenyl)-2-(propan-2-yl)-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

8003-4523

Molecular Formula

C22H23N5O (C22 H23 N5 O)

Compound Name

6-amino-8-(3-methoxyphenyl)-2-(propan-2-yl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tricarbonitrile

IUPAC name

6-amino-8-(3-methoxyphenyl)-2-(propan-2-yl)-123788a-hexahydroisoquinoline-577-tricarbonitrile

SMILES

CC(C)N(CC1C(C2(C#N)C#N)c3cccc(OC)c3)CC=C1C(C#N)=C2N

InChI

InChI=1S/C22H23N5O/c1-14(2)27-8-7-17-18(10-23)21(26)22(12-24,13-25)20(19(17)11-27)15-5-4-6-16(9-15)28-3/h4-7,9,14,19-20H,8,11,26H2,1-3H3

InChI Key

MHBOIAHUVWGPEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00743831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.751

Distribution Coefficient, logD

2.750

Water Solubility, LogSw

-3.10

Polar Surface Area

83.696

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 8003-4523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4523?
Check Price and Availability of 8003-4523, 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 8003-4523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4523
  • 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 8003-4523 available by request