C276-1492 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

C276-1492 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
C276-1492 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1492
4-(2H-1,3-benzodioxol-5-yl)-7-(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

C276-1492

Molecular Formula

C23H21NO5 (C23 H21 NO5)

Compound Name

4-(2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

IUPAC name

4-(2H-13-benzodioxol-5-yl)-7-(4-methoxyphenyl)-12345678-octahydroquinoline-25-dione

SMILES

COc1ccc(C(C2)CC(NC(CC3c(cc4)cc5c4OCO5)=O)=C3C2=O)cc1

InChI

InChI=1S/C23H21NO5/c1-27-16-5-2-13(3-6-16)15-8-18-23(19(25)9-15)17(11-22(26)24-18)14-4-7-20-21(10-14)29-12-28-20/h2-7,10,15,17H,8-9,11-12H2,1H3,(H,24,26)

InChI Key

KCDPBNLUCYPWGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07402486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.538

Distribution Coefficient, logD

2.275

Water Solubility, LogSw

-3.66

Polar Surface Area

62.394

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.40

C276-1492 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with C276-1492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1492?
Check Price and Availability of C276-1492, 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 C276-1492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1492
  • 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 C276-1492 available by request