C647-0072 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[7-(4-chlorobenzoyl)-8-oxo-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide

C647-0072 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[7-(4-chlorobenzoyl)-8-oxo-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide
C647-0072 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[7-(4-chlorobenzoyl)-8-oxo-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C647-0072
N-(2H-1,3-benzodioxol-5-yl)-2-[7-(4-chlorobenzoyl)-8-oxo-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide

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

C647-0072

Molecular Formula

C26H17ClN2O7 (C26 H17 ClN2 O7)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[7-(4-chlorobenzoyl)-8-oxo-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[7-(4-chlorobenzoyl)-8-oxo-2H5H8H-[13]dioxolo[45-g]quinolin-5-yl]acetamide

SMILES

O=C(CN(C=C1C(c(cc2)ccc2Cl)=O)c(cc2OCOc2c2)c2C1=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C26H17ClN2O7/c27-15-3-1-14(2-4-15)25(31)18-10-29(19-9-23-22(35-13-36-23)8-17(19)26(18)32)11-24(30)28-16-5-6-20-21(7-16)34-12-33-20/h1-10H,11-13H2,(H,28,30)

InChI Key

ALSGZXXDAUNSDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06402995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.88

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.506

Distribution Coefficient, logD

4.506

Water Solubility, LogSw

-4.76

Polar Surface Area

86.410

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C647-0072 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C647-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C647-0072?
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What is the minimum amount of C647-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C647-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C647-0072
  • 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 C647-0072 available by request