S593-0580 Screening compound: (2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-pyrrolidinyl)(4-methyl-1,3-oxazol-5-yl)methanone

S593-0580 Screening compound: (2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-pyrrolidinyl)(4-methyl-1,3-oxazol-5-yl)methanone
S593-0580 Screening compound: (2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-pyrrolidinyl)(4-methyl-1,3-oxazol-5-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S593-0580
(2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-pyrrolidinyl)(4-methyl-1,3-oxazol-5-yl)methanone

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

S593-0580

Molecular Formula

C18H17FN4O4 (C18 H17 FN4 O4)

Compound Name

(2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-pyrrolidinyl)(4-methyl-1,3-oxazol-5-yl)methanone

IUPAC name

5-[(4-fluorophenoxy)methyl]-3-[1-(4-methyl-13-oxazole-5-carbonyl)pyrrolidin-2-yl]-124-oxadiazole

SMILES

Cc1c(C(N(CCC2)C2c2noc(COc(cc3)ccc3F)n2)=O)ocn1

InChI

InChI=1S/C18H17FN4O4/c1-11-16(26-10-20-11)18(24)23-8-2-3-14(23)17-21-15(27-22-17)9-25-13-6-4-12(19)5-7-13/h4-7,10,14H,2-3,8-9H2,1H3/t14-/m0/s1

InChI Key

DDPQKAKCKNGAJH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29017618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.938

Distribution Coefficient, logD

1.938

Water Solubility, LogSw

-2.07

Polar Surface Area

74.431

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

S593-0580 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S593-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S593-0580?
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What is the minimum amount of S593-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S593-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S593-0580
  • 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 S593-0580 available by request