C228-0583 Screening compound: 2-(5-bromothiophen-2-yl)-N-(2-methoxy-5-methylphenyl)quinoline-4-carboxamide

C228-0583 Screening compound: 2-(5-bromothiophen-2-yl)-N-(2-methoxy-5-methylphenyl)quinoline-4-carboxamide
C228-0583 Screening compound: 2-(5-bromothiophen-2-yl)-N-(2-methoxy-5-methylphenyl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C228-0583
2-(5-bromothiophen-2-yl)-N-(2-methoxy-5-methylphenyl)quinoline-4-carboxamide

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

C228-0583

Molecular Formula

C22H17BrN2O2S (C22 H17 BrN2 O2 S)

Compound Name

2-(5-bromothiophen-2-yl)-N-(2-methoxy-5-methylphenyl)quinoline-4-carboxamide

IUPAC name

2-(5-bromothiophen-2-yl)-N-(2-methoxy-5-methylphenyl)quinoline-4-carboxamide

SMILES

Cc(cc1)cc(NC(c2cc(-c(s3)ccc3Br)nc3ccccc23)=O)c1OC

InChI

InChI=1S/C22H17BrN2O2S/c1-13-7-8-19(27-2)17(11-13)25-22(26)15-12-18(20-9-10-21(23)28-20)24-16-6-4-3-5-14(15)16/h3-12H,1-2H3,(H,25,26)

InChI Key

MQPGDYKFBKAAEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.108

Distribution Coefficient, logD

6.108

Water Solubility, LogSw

-5.68

Polar Surface Area

39.340

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C228-0583 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C228-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C228-0583?
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What is the minimum amount of C228-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C228-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C228-0583
  • 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 C228-0583 available by request