C519-1553 Screening compound: 1-ethyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

C519-1553 Screening compound: 1-ethyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
C519-1553 Screening compound: 1-ethyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C519-1553
1-ethyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-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

C519-1553

Molecular Formula

C28H36N4O5S (C28 H36 N4 O5 S)

Compound Name

1-ethyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

1-ethyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-6-(morpholine-4-sulfonyl)-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CCN(CCCNC(C1=CN(CC)c(ccc(S(N2CCOCC2)(=O)=O)c2)c2C1=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C28H36N4O5S/c1-4-30(22-9-6-8-21(3)18-22)13-7-12-29-28(34)25-20-31(5-2)26-11-10-23(19-24(26)27(25)33)38(35,36)32-14-16-37-17-15-32/h6,8-11,18-20H,4-5,7,12-17H2,1-3H3,(H,29,34)

InChI Key

JXJJXWLMKZYKEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.046

Distribution Coefficient, logD

3.036

Water Solubility, LogSw

-3.60

Polar Surface Area

82.423

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with C519-1553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-1553?
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What is the minimum amount of C519-1553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-1553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-1553
  • 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 C519-1553 available by request