S595-1435 Screening compound: N-{2-[2-(5-{[(4-fluorophenyl)methoxy]methyl}-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl}-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide

S595-1435 Screening compound: N-{2-[2-(5-{[(4-fluorophenyl)methoxy]methyl}-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl}-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
S595-1435 Screening compound: N-{2-[2-(5-{[(4-fluorophenyl)methoxy]methyl}-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl}-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S595-1435
N-{2-[2-(5-{[(4-fluorophenyl)methoxy]methyl}-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl}-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-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

S595-1435

Molecular Formula

C27H30FN5O6S (C27 H30 FN5 O6 S)

Compound Name

N-{2-[2-(5-{[(4-fluorophenyl)methoxy]methyl}-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl}-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide

IUPAC name

N-{2-[2-(5-{[(4-fluorophenyl)methoxy]methyl}-124-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl}-N-methyl-2-oxo-1234-tetrahydroquinoline-6-sulfonamide

SMILES

CN(CC(N(CCCC1)C1c1noc(COCc(cc2)ccc2F)n1)=O)S(c(cc1)cc(CC2)c1NC2=O)(=O)=O

InChI

InChI=1S/C27H30FN5O6S/c1-32(40(36,37)21-10-11-22-19(14-21)7-12-24(34)29-22)15-26(35)33-13-3-2-4-23(33)27-30-25(39-31-27)17-38-16-18-5-8-20(28)9-6-18/h5-6,8-11,14,23H,2-4,7,12-13,15-17H2,1H3,(H,29,34)/t23-/m0/s1

InChI Key

NTHZLIWTKHYJRS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD31962870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.63

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.443

Distribution Coefficient, logD

2.442

Water Solubility, LogSw

-2.96

Polar Surface Area

113.216

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.74

S595-1435 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S595-1435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S595-1435?
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What is the minimum amount of S595-1435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S595-1435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S595-1435
  • 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 S595-1435 available by request