S990-0433 Screening compound: 1-(3-fluoro-4-methoxybenzoyl)-4-methanesulfonyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane

S990-0433 Screening compound: 1-(3-fluoro-4-methoxybenzoyl)-4-methanesulfonyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane
S990-0433 Screening compound: 1-(3-fluoro-4-methoxybenzoyl)-4-methanesulfonyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound S990-0433
1-(3-fluoro-4-methoxybenzoyl)-4-methanesulfonyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane

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

S990-0433

Molecular Formula

C17H21FN4O5S (C17 H21 FN4 O5 S)

Compound Name

1-(3-fluoro-4-methoxybenzoyl)-4-methanesulfonyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane

IUPAC name

1-(3-fluoro-4-methoxybenzoyl)-4-methanesulfonyl-5-(3-methyl-124-oxadiazol-5-yl)-14-diazepane

SMILES

Cc1noc(C(CCN(CC2)C(c(cc3)cc(F)c3OC)=O)N2S(C)(=O)=O)n1

InChI

InChI=1S/C17H21FN4O5S/c1-11-19-16(27-20-11)14-6-7-21(8-9-22(14)28(3,24)25)17(23)12-4-5-15(26-2)13(18)10-12/h4-5,10,14H,6-9H2,1-3H3/t14-/m0/s1

InChI Key

AWDAVJIMEFNYBK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD31997544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.973

Distribution Coefficient, logD

0.973

Water Solubility, LogSw

-2.31

Polar Surface Area

87.892

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

S990-0433 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S990-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S990-0433?
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What is the minimum amount of S990-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S990-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S990-0433
  • 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 S990-0433 available by request