4404-0221 Screening compound: 2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

4404-0221 Screening compound: 2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4404-0221 Screening compound: 2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4404-0221
2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-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

4404-0221

Molecular Formula

C20H22Cl2N4O (C20 H22 Cl2 N4 O)

Compound Name

2-amino-4-(2,4-dichlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-4-(24-dichlorophenyl)-1-(dimethylamino)-77-dimethyl-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)(C1)CC(N(C(N)=C(C2c(ccc(Cl)c3)c3Cl)C#N)N(C)C)=C2C1=O

InChI

InChI=1S/C20H22Cl2N4O/c1-20(2)8-15-18(16(27)9-20)17(12-6-5-11(21)7-14(12)22)13(10-23)19(24)26(15)25(3)4/h5-7,17H,8-9,24H2,1-4H3/t17-/m1/s1

InChI Key

QCBLRIYTCZUSSC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03821777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.727

Distribution Coefficient, logD

3.727

Water Solubility, LogSw

-4.07

Polar Surface Area

61.912

Acid Dissociation Constant (pKa)

16.68

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 4404-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4404-0221?
Check Price and Availability of 4404-0221, 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 4404-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4404-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4404-0221
  • 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 4404-0221 available by request