C385-0058 Screening compound: 3-(2,3-dihydro-1H-indole-1-carbonyl)-N-(3-methoxyphenyl)-4-oxo-1,4-dihydroquinoline-6-sulfonamide

C385-0058 Screening compound: 3-(2,3-dihydro-1H-indole-1-carbonyl)-N-(3-methoxyphenyl)-4-oxo-1,4-dihydroquinoline-6-sulfonamide
C385-0058 Screening compound: 3-(2,3-dihydro-1H-indole-1-carbonyl)-N-(3-methoxyphenyl)-4-oxo-1,4-dihydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C385-0058
3-(2,3-dihydro-1H-indole-1-carbonyl)-N-(3-methoxyphenyl)-4-oxo-1,4-dihydroquinoline-6-sulfonamide

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

C385-0058

Molecular Formula

C25H21N3O5S (C25 H21 N3 O5 S)

Compound Name

3-(2,3-dihydro-1H-indole-1-carbonyl)-N-(3-methoxyphenyl)-4-oxo-1,4-dihydroquinoline-6-sulfonamide

IUPAC name

3-(23-dihydro-1H-indole-1-carbonyl)-N-(3-methoxyphenyl)-4-oxo-14-dihydroquinoline-6-sulfonamide

SMILES

COc1cccc(NS(c(cc2)cc3c2NC=C(C(N(CC2)c4c2cccc4)=O)C3=O)(=O)=O)c1

InChI

InChI=1S/C25H21N3O5S/c1-33-18-7-4-6-17(13-18)27-34(31,32)19-9-10-22-20(14-19)24(29)21(15-26-22)25(30)28-12-11-16-5-2-3-8-23(16)28/h2-10,13-15,27H,11-12H2,1H3,(H,26,29)

InChI Key

HZUAHYCHHTXQGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.603

Distribution Coefficient, logD

2.963

Water Solubility, LogSw

-3.90

Polar Surface Area

88.230

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C385-0058 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 C385-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C385-0058?
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What is the minimum amount of C385-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C385-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C385-0058
  • 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 C385-0058 available by request