C276-1219 Screening compound: 7,7-dimethyl-4-(naphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

C276-1219 Screening compound: 7,7-dimethyl-4-(naphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
C276-1219 Screening compound: 7,7-dimethyl-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 C276-1219
7,7-dimethyl-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

C276-1219

Molecular Formula

C21H21NO2 (C21 H21 NO2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(NC(CC2c3cccc4ccccc34)=O)=C2C1=O

InChI

InChI=1S/C21H21NO2/c1-21(2)11-17-20(18(23)12-21)16(10-19(24)22-17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16H,10-12H2,1-2H3,(H,22,24)/t16-/m1/s1

InChI Key

WALPFNQPXAMNAV-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD06759652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.4

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

3.566

Distribution Coefficient, logD

2.396

Water Solubility, LogSw

-3.69

Polar Surface Area

37.735

Acid Dissociation Constant (pKa)

6.26

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C276-1219 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C276-1219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1219?
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What is the minimum amount of C276-1219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1219
  • 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 C276-1219 available by request