C276-1473 Screening compound: 7-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

C276-1473 Screening compound: 7-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
C276-1473 Screening compound: 7-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1473
7-(2-chlorophenyl)-4-(3-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

C276-1473

Molecular Formula

C22H20ClNO3 (C22 H20 ClNO3)

Compound Name

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

IUPAC name

7-(2-chlorophenyl)-4-(3-methoxyphenyl)-12345678-octahydroquinoline-25-dione

SMILES

COc1cccc(C(C2)C(C(CC(C3)c(cccc4)c4Cl)=O)=C3NC2=O)c1

InChI

InChI=1S/C22H20ClNO3/c1-27-15-6-4-5-13(9-15)17-12-21(26)24-19-10-14(11-20(25)22(17)19)16-7-2-3-8-18(16)23/h2-9,14,17H,10-12H2,1H3,(H,24,26)

InChI Key

BPDGWADBFUGIRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07613350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.087

Distribution Coefficient, logD

2.824

Water Solubility, LogSw

-4.35

Polar Surface Area

45.279

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

C276-1473 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C276-1473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1473?
Check Price and Availability of C276-1473, 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 C276-1473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1473
  • 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 C276-1473 available by request