C385-0797 Screening compound: N-cyclopentyl-6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

C385-0797 Screening compound: N-cyclopentyl-6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
C385-0797 Screening compound: N-cyclopentyl-6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C385-0797
N-cyclopentyl-6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-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

C385-0797

Molecular Formula

C23H23N3O6S (C23 H23 N3 O6 S)

Compound Name

N-cyclopentyl-6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

N-cyclopentyl-6-[(23-dihydro-14-benzodioxin-6-yl)sulfamoyl]-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

O=C(C1=CNc(ccc(S(Nc(cc2)cc3c2OCCO3)(=O)=O)c2)c2C1=O)NC1CCCC1

InChI

InChI=1S/C23H23N3O6S/c27-22-17-12-16(33(29,30)26-15-5-8-20-21(11-15)32-10-9-31-20)6-7-19(17)24-13-18(22)23(28)25-14-3-1-2-4-14/h5-8,11-14,26H,1-4,9-10H2,(H,24,27)(H,25,28)

InChI Key

SLMUMALFUJFGDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.258

Distribution Coefficient, logD

1.197

Water Solubility, LogSw

-2.98

Polar Surface Area

105.335

Acid Dissociation Constant (pKa)

6.38

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C385-0797 in Drug Discovery

Included in Screening Libraries

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 C385-0797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C385-0797?
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What is the minimum amount of C385-0797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C385-0797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C385-0797
  • 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 C385-0797 available by request