C276-0912 Screening compound: 7-(2H-1,3-benzodioxol-5-yl)-2H,3H-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid

C276-0912 Screening compound: 7-(2H-1,3-benzodioxol-5-yl)-2H,3H-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
C276-0912 Screening compound: 7-(2H-1,3-benzodioxol-5-yl)-2H,3H-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0912
7-(2H-1,3-benzodioxol-5-yl)-2H,3H-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid

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

C276-0912

Molecular Formula

C19H13NO6 (C19 H13 NO6)

Compound Name

7-(2H-1,3-benzodioxol-5-yl)-2H,3H-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid

IUPAC name

7-(2H-13-benzodioxol-5-yl)-2H3H-[14]dioxino[23-g]quinoline-9-carboxylic acid

SMILES

OC(c(c1c2)cc(-c(cc3)cc4c3OCO4)nc1cc1c2OCCO1)=O

InChI

InChI=1S/C19H13NO6/c21-19(22)12-6-13(10-1-2-15-16(5-10)26-9-25-15)20-14-8-18-17(7-11(12)14)23-3-4-24-18/h1-2,5-8H,3-4,9H2,(H,21,22)

InChI Key

PLLIYQYZPXURLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06752904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.095

Distribution Coefficient, logD

3.095

Water Solubility, LogSw

-3.25

Polar Surface Area

69.644

Acid Dissociation Constant (pKa)

3.33

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C276-0912 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C276-0912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0912?
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What is the minimum amount of C276-0912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0912
  • 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 C276-0912 available by request