C276-1355 Screening compound: 4-(naphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

C276-1355 Screening compound: 4-(naphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
C276-1355 Screening compound: 4-(naphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1355
4-(naphthalen-1-yl)-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

C276-1355

Molecular Formula

C19H17NO2 (C19 H17 NO2)

Compound Name

4-(naphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

IUPAC name

4-(naphthalen-1-yl)-12345678-octahydroquinoline-25-dione

SMILES

O=C(CCC1)C(C(C2)c3cccc4ccccc34)=C1NC2=O

InChI

InChI=1S/C19H17NO2/c21-17-10-4-9-16-19(17)15(11-18(22)20-16)14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,15H,4,9-11H2,(H,20,22)/t15-/m1/s1

InChI Key

UNLIOXOPRLUKIP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD07613290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.960

Distribution Coefficient, logD

2.141

Water Solubility, LogSw

-3.35

Polar Surface Area

37.735

Acid Dissociation Constant (pKa)

6.65

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

C276-1355 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C276-1355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1355?
Check Price and Availability of C276-1355, 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 C276-1355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1355
  • 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 C276-1355 available by request