8014-9757 Screening compound: 2-amino-1-(dimethylamino)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8014-9757 Screening compound: 2-amino-1-(dimethylamino)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8014-9757 Screening compound: 2-amino-1-(dimethylamino)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9757
2-amino-1-(dimethylamino)-4-(3-methylthiophen-2-yl)-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

8014-9757

Molecular Formula

C17H20N4OS (C17 H20 N4 OS)

Compound Name

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

IUPAC name

2-amino-1-(dimethylamino)-4-(3-methylthiophen-2-yl)-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

Cc1c(C(C2=C3CCCC2=O)C(C#N)=C(N)N3N(C)C)scc1

InChI

InChI=1S/C17H20N4OS/c1-10-7-8-23-16(10)14-11(9-18)17(19)21(20(2)3)12-5-4-6-13(22)15(12)14/h7-8,14H,4-6,19H2,1-3H3/t14-/m1/s1

InChI Key

UATOIQQAKKKGEC-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03821361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.44

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

1.716

Distribution Coefficient, logD

1.716

Water Solubility, LogSw

-2.31

Polar Surface Area

62.930

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

8014-9757 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-9757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9757?
Check Price and Availability of 8014-9757, 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 8014-9757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9757
  • 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 8014-9757 available by request