C647-0279 Screening compound: N-(3,5-dimethoxyphenyl)-2-[8-(4-fluorobenzoyl)-9-oxo-2H,3H,6H,9H-[1,4]dioxino[2,3-g]quinolin-6-yl]acetamide

C647-0279 Screening compound: N-(3,5-dimethoxyphenyl)-2-[8-(4-fluorobenzoyl)-9-oxo-2H,3H,6H,9H-[1,4]dioxino[2,3-g]quinolin-6-yl]acetamide
C647-0279 Screening compound: N-(3,5-dimethoxyphenyl)-2-[8-(4-fluorobenzoyl)-9-oxo-2H,3H,6H,9H-[1,4]dioxino[2,3-g]quinolin-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C647-0279
N-(3,5-dimethoxyphenyl)-2-[8-(4-fluorobenzoyl)-9-oxo-2H,3H,6H,9H-[1,4]dioxino[2,3-g]quinolin-6-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

C647-0279

Molecular Formula

C28H23FN2O7 (C28 H23 FN2 O7)

Compound Name

N-(3,5-dimethoxyphenyl)-2-[8-(4-fluorobenzoyl)-9-oxo-2H,3H,6H,9H-[1,4]dioxino[2,3-g]quinolin-6-yl]acetamide

IUPAC name

N-(35-dimethoxyphenyl)-2-[8-(4-fluorobenzoyl)-9-oxo-2H3H6H9H-[14]dioxino[23-g]quinolin-6-yl]acetamide

SMILES

COc1cc(NC(CN(C=C2C(c(cc3)ccc3F)=O)c(cc3OCCOc3c3)c3C2=O)=O)cc(OC)c1

InChI

InChI=1S/C28H23FN2O7/c1-35-19-9-18(10-20(11-19)36-2)30-26(32)15-31-14-22(27(33)16-3-5-17(29)6-4-16)28(34)21-12-24-25(13-23(21)31)38-8-7-37-24/h3-6,9-14H,7-8,15H2,1-2H3,(H,30,32)

InChI Key

JVBKJYQFPNKPLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05899713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.172

Distribution Coefficient, logD

3.172

Water Solubility, LogSw

-3.50

Polar Surface Area

83.090

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C647-0279 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C647-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C647-0279?
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What is the minimum amount of C647-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C647-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C647-0279
  • 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 C647-0279 available by request