4404-0410 Screening compound: 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

4404-0410 Screening compound: 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4404-0410 Screening compound: 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4404-0410
2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(thiophen-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

4404-0410

Molecular Formula

C18H22N4OS (C18 H22 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(N(C(N)=C(C2c3cscc3)C#N)N(C)C)=C2C1=O

InChI

InChI=1S/C18H22N4OS/c1-18(2)7-13-16(14(23)8-18)15(11-5-6-24-10-11)12(9-19)17(20)22(13)21(3)4/h5-6,10,15H,7-8,20H2,1-4H3/t15-/m1/s1

InChI Key

WKEKXOFWVFGEEK-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD02953129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.47

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

1.850

Distribution Coefficient, logD

1.850

Water Solubility, LogSw

-2.25

Polar Surface Area

62.930

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

4404-0410 in Drug Discovery

Included in Screening Libraries

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 4404-0410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4404-0410?
Check Price and Availability of 4404-0410, 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 4404-0410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4404-0410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4404-0410
  • 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 4404-0410 available by request