4576-0109 Screening compound: 3-(dibutylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

4576-0109 Screening compound: 3-(dibutylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
4576-0109 Screening compound: 3-(dibutylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4576-0109
3-(dibutylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

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

4576-0109

Molecular Formula

C22H29N3O (C22 H29 N3 O)

Compound Name

3-(dibutylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

IUPAC name

3-(dibutylamino)-1-(furan-2-yl)-5678-tetrahydroisoquinoline-4-carbonitrile

SMILES

CCCCN(CCCC)c(nc(-c1ccco1)c1c2CCCC1)c2C#N

InChI

InChI=1S/C22H29N3O/c1-3-5-13-25(14-6-4-2)22-19(16-23)17-10-7-8-11-18(17)21(24-22)20-12-9-15-26-20/h9,12,15H,3-8,10-11,13-14H2,1-2H3

InChI Key

KTPKLZOLINSREV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01561002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.511

Distribution Coefficient, logD

6.511

Water Solubility, LogSw

-5.79

Polar Surface Area

38.085

Acid Dissociation Constant (pKa)

22.26

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

4576-0109 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4576-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4576-0109?
Check Price and Availability of 4576-0109, 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 4576-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4576-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4576-0109
  • 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 4576-0109 available by request