S614-0640 Screening compound: 5-(2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine-1-carbonyl)-2-methoxypyridine

S614-0640 Screening compound: 5-(2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine-1-carbonyl)-2-methoxypyridine
S614-0640 Screening compound: 5-(2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine-1-carbonyl)-2-methoxypyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S614-0640
5-(2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine-1-carbonyl)-2-methoxypyridine

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

S614-0640

Molecular Formula

C20H26N4O4 (C20 H26 N4 O4)

Compound Name

5-(2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine-1-carbonyl)-2-methoxypyridine

IUPAC name

5-(2-{3-[2-(cyclopropylmethoxy)ethyl]-124-oxadiazol-5-yl}piperidine-1-carbonyl)-2-methoxypyridine

SMILES

COc(cc1)ncc1C(N(CCCC1)C1c1nc(CCOCC2CC2)no1)=O

InChI

InChI=1S/C20H26N4O4/c1-26-18-8-7-15(12-21-18)20(25)24-10-3-2-4-16(24)19-22-17(23-28-19)9-11-27-13-14-5-6-14/h7-8,12,14,16H,2-6,9-11,13H2,1H3/t16-/m0/s1

InChI Key

XEKBJGVNFWCRSD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31991693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.833

Distribution Coefficient, logD

2.833

Water Solubility, LogSw

-2.93

Polar Surface Area

74.435

Acid Dissociation Constant (pKa)

25.62

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S614-0640 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S614-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S614-0640?
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What is the minimum amount of S614-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S614-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S614-0640
  • 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 S614-0640 available by request