4404-0393 Screening compound: 2-amino-7,7-dimethyl-1-(morpholin-4-yl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

4404-0393 Screening compound: 2-amino-7,7-dimethyl-1-(morpholin-4-yl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4404-0393 Screening compound: 2-amino-7,7-dimethyl-1-(morpholin-4-yl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4404-0393
2-amino-7,7-dimethyl-1-(morpholin-4-yl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-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

4404-0393

Molecular Formula

C21H25N5O2 (C21 H25 N5 O2)

Compound Name

2-amino-7,7-dimethyl-1-(morpholin-4-yl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-77-dimethyl-1-(morpholin-4-yl)-5-oxo-4-(pyridin-3-yl)-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)(C1)CC(N(C(N)=C(C2c3cnccc3)C#N)N3CCOCC3)=C2C1=O

InChI

InChI=1S/C21H25N5O2/c1-21(2)10-16-19(17(27)11-21)18(14-4-3-5-24-13-14)15(12-22)20(23)26(16)25-6-8-28-9-7-25/h3-5,13,18H,6-11,23H2,1-2H3/t18-/m1/s1

InChI Key

RUOFXIGYBJUHDD-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03235803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.982

Distribution Coefficient, logD

0.982

Water Solubility, LogSw

-1.03

Polar Surface Area

77.448

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

4404-0393 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4404-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4404-0393?
Check Price and Availability of 4404-0393, 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 4404-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4404-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4404-0393
  • 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 4404-0393 available by request