C682-1278 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-6-ethoxy-3-(4-ethylbenzenesulfonyl)-1,4-dihydroquinolin-4-one

C682-1278 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-6-ethoxy-3-(4-ethylbenzenesulfonyl)-1,4-dihydroquinolin-4-one
C682-1278 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-6-ethoxy-3-(4-ethylbenzenesulfonyl)-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C682-1278
1-[(2,5-dimethylphenyl)methyl]-6-ethoxy-3-(4-ethylbenzenesulfonyl)-1,4-dihydroquinolin-4-one

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

C682-1278

Molecular Formula

C28H29NO4S (C28 H29 NO4 S)

Compound Name

1-[(2,5-dimethylphenyl)methyl]-6-ethoxy-3-(4-ethylbenzenesulfonyl)-1,4-dihydroquinolin-4-one

IUPAC name

1-[(25-dimethylphenyl)methyl]-6-ethoxy-3-(4-ethylbenzenesulfonyl)-14-dihydroquinolin-4-one

SMILES

CCc(cc1)ccc1S(C1=CN(Cc2c(C)ccc(C)c2)c(ccc(OCC)c2)c2C1=O)(=O)=O

InChI

InChI=1S/C28H29NO4S/c1-5-21-9-12-24(13-10-21)34(31,32)27-18-29(17-22-15-19(3)7-8-20(22)4)26-14-11-23(33-6-2)16-25(26)28(27)30/h7-16,18H,5-6,17H2,1-4H3

InChI Key

IEEZKMBQMJAJMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.525

Distribution Coefficient, logD

6.525

Water Solubility, LogSw

-5.69

Polar Surface Area

52.187

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-6.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C682-1278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C682-1278?
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What is the minimum amount of C682-1278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C682-1278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C682-1278
  • 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 C682-1278 available by request