C276-0788 Screening compound: 4-(3-chloro-4-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

C276-0788 Screening compound: 4-(3-chloro-4-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
C276-0788 Screening compound: 4-(3-chloro-4-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0788
4-(3-chloro-4-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

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

C276-0788

Molecular Formula

C16H16ClNO3 (C16 H16 ClNO3)

Compound Name

4-(3-chloro-4-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

IUPAC name

4-(3-chloro-4-methoxyphenyl)-12345678-octahydroquinoline-25-dione

SMILES

COc(ccc(C(C1)C(C(CCC2)=O)=C2NC1=O)c1)c1Cl

InChI

InChI=1S/C16H16ClNO3/c1-21-14-6-5-9(7-11(14)17)10-8-15(20)18-12-3-2-4-13(19)16(10)12/h5-7,10H,2-4,8H2,1H3,(H,18,20)/t10-/m0/s1

InChI Key

UKNYCZDDQAMRBJ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD06752816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.296

Distribution Coefficient, logD

1.555

Water Solubility, LogSw

-3.34

Polar Surface Area

45.637

Acid Dissociation Constant (pKa)

6.75

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

C276-0788 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C276-0788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0788?
Check Price and Availability of C276-0788, 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 C276-0788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0788
  • 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 C276-0788 available by request