S640-0966 Screening compound: 1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide

S640-0966 Screening compound: 1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide
S640-0966 Screening compound: 1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S640-0966
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide

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

S640-0966

Molecular Formula

C14H20N6O4S (C14 H20 N6 O4 S)

Compound Name

1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide

IUPAC name

(3S4S)-1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-N-methyl-4-(3-methyl-124-oxadiazol-5-yl)pyrrolidine-3-carboxamide

SMILES

CCn1ncc(S(N(C[C@@H]2C(NC)=O)C[C@@H]2c2nc(C)no2)(=O)=O)c1

InChI

InChI=1S/C14H20N6O4S/c1-4-19-6-10(5-16-19)25(22,23)20-7-11(13(21)15-3)12(8-20)14-17-9(2)18-24-14/h5-6,11-12H,4,7-8H2,1-3H3,(H,15,21)/t11-,12-/m1/s1

InChI Key

LVBDJKRDCBPKLQ-VXGBXAGGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.820

Distribution Coefficient, logD

-0.820

Water Solubility, LogSw

-1.95

Polar Surface Area

102.810

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.10

S640-0966 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S640-0966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S640-0966?
Check Price and Availability of S640-0966, 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 S640-0966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S640-0966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S640-0966
  • 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 S640-0966 available by request