S595-1408 Screening compound: 1-[2-(5-{[(4-fluorophenyl)methoxy]methyl}-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)butane-1,4-dione

S595-1408 Screening compound: 1-[2-(5-{[(4-fluorophenyl)methoxy]methyl}-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)butane-1,4-dione
S595-1408 Screening compound: 1-[2-(5-{[(4-fluorophenyl)methoxy]methyl}-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S595-1408
1-[2-(5-{[(4-fluorophenyl)methoxy]methyl}-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)butane-1,4-dione

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

S595-1408

Molecular Formula

C27H28FN5O5 (C27 H28 FN5 O5)

Compound Name

1-[2-(5-{[(4-fluorophenyl)methoxy]methyl}-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)butane-1,4-dione

IUPAC name

1-[2-(5-{[(4-fluorophenyl)methoxy]methyl}-124-oxadiazol-3-yl)piperidin-1-yl]-4-(3-oxo-1234-tetrahydroquinoxalin-1-yl)butane-14-dione

SMILES

O=C(CCC(N(C1)c(cccc2)c2NC1=O)=O)N(CCCC1)C1c1noc(COCc(cc2)ccc2F)n1

InChI

InChI=1S/C27H28FN5O5/c28-19-10-8-18(9-11-19)16-37-17-24-30-27(31-38-24)22-7-3-4-14-32(22)25(35)12-13-26(36)33-15-23(34)29-20-5-1-2-6-21(20)33/h1-2,5-6,8-11,22H,3-4,7,12-17H2,(H,29,34)/t22-/m0/s1

InChI Key

NSWDWCKTMQPWND-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD31962787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.680

Distribution Coefficient, logD

2.678

Water Solubility, LogSw

-3.03

Polar Surface Area

95.450

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.04

S595-1408 in Drug Discovery

Included in Screening Libraries

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

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S595-1408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S595-1408?
Check Price and Availability of S595-1408, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S595-1408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S595-1408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S595-1408
  • 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 S595-1408 available by request