3132-0748 Screening compound: 6-amino-8-(4-methoxyphenyl)-2-methyl-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tricarbonitrile

3132-0748 Screening compound: 6-amino-8-(4-methoxyphenyl)-2-methyl-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tricarbonitrile
3132-0748 Screening compound: 6-amino-8-(4-methoxyphenyl)-2-methyl-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tricarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3132-0748
6-amino-8-(4-methoxyphenyl)-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

3132-0748

Molecular Formula

C20H19N5O (C20 H19 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1C(C2(C#N)C#N)c(cc3)ccc3OC)CC=C1C(C#N)=C2N

InChI

InChI=1S/C20H19N5O/c1-25-8-7-15-16(9-21)19(24)20(11-22,12-23)18(17(15)10-25)13-3-5-14(26-2)6-4-13/h3-7,17-18H,8,10,24H2,1-2H3

InChI Key

WPEOSHQNWZGDCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00128597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.898

Distribution Coefficient, logD

1.898

Water Solubility, LogSw

-2.47

Polar Surface Area

83.309

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 3132-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3132-0748?
Check Price and Availability of 3132-0748, 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 3132-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3132-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3132-0748
  • 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 3132-0748 available by request