S593-0613 Screening compound: 5-[(4-FLUOROPHENOXY)METHYL]-3-{1-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)SULFONYL]PYRROLIDIN-2-YL}-1,2,4-OXADIAZOLE

S593-0613 Screening compound: 5-[(4-FLUOROPHENOXY)METHYL]-3-{1-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)SULFONYL]PYRROLIDIN-2-YL}-1,2,4-OXADIAZOLE
S593-0613 Screening compound: 5-[(4-FLUOROPHENOXY)METHYL]-3-{1-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)SULFONYL]PYRROLIDIN-2-YL}-1,2,4-OXADIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound S593-0613
5-[(4-FLUOROPHENOXY)METHYL]-3-{1-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)SULFONYL]PYRROLIDIN-2-YL}-1,2,4-OXADIAZOLE

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

S593-0613

Molecular Formula

C19H22FN5O4S (C19 H22 FN5 O4 S)

Compound Name

5-[(4-FLUOROPHENOXY)METHYL]-3-{1-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)SULFONYL]PYRROLIDIN-2-YL}-1,2,4-OXADIAZOLE

IUPAC name

n/a

SMILES

Cc(n(C)nc1C)c1S(N(CCC1)C1c1noc(COc(cc2)ccc2F)n1)(=O)=O

InChI

InChI=1S/C19H22FN5O4S/c1-12-18(13(2)24(3)22-12)30(26,27)25-10-4-5-16(25)19-21-17(29-23-19)11-28-15-8-6-14(20)7-9-15/h6-9,16H,4-5,10-11H2,1-3H3/t16-/m0/s1

InChI Key

VUIAVRQBXOPIBM-INIZCTEOSA-N

MDL Number (MFCD)

MFCD30466868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.499

Distribution Coefficient, logD

1.499

Water Solubility, LogSw

-2.24

Polar Surface Area

86.196

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

S593-0613 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 S593-0613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S593-0613?
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What is the minimum amount of S593-0613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S593-0613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S593-0613
  • 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 S593-0613 available by request