C519-1582 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-ethyl-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

C519-1582 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-ethyl-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
C519-1582 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-ethyl-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C519-1582
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-ethyl-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

C519-1582

Molecular Formula

C26H29N3O7S (C26 H29 N3 O7 S)

Compound Name

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-ethyl-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

N-[1-(23-dihydro-14-benzodioxin-6-yl)ethyl]-1-ethyl-6-(morpholine-4-sulfonyl)-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CCN(C=C1C(NC(C)c(cc2)cc3c2OCCO3)=O)c(ccc(S(N2CCOCC2)(=O)=O)c2)c2C1=O

InChI

InChI=1S/C26H29N3O7S/c1-3-28-16-21(26(31)27-17(2)18-4-7-23-24(14-18)36-13-12-35-23)25(30)20-15-19(5-6-22(20)28)37(32,33)29-8-10-34-11-9-29/h4-7,14-17H,3,8-13H2,1-2H3,(H,27,31)/t17-/m0/s1

InChI Key

HSKDHCRQOPBZLM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14764794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.705

Distribution Coefficient, logD

1.705

Water Solubility, LogSw

-2.93

Polar Surface Area

94.578

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

C519-1582 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C519-1582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-1582?
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What is the minimum amount of C519-1582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-1582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-1582
  • 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 C519-1582 available by request