S721-0941 Screening compound: [(2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-(3-pyridyloxy)tetrahydro-1H-pyrrol-2-yl](1-pyrrolidinyl)methanone

S721-0941 Screening compound: [(2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-(3-pyridyloxy)tetrahydro-1H-pyrrol-2-yl](1-pyrrolidinyl)methanone
S721-0941 Screening compound: [(2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-(3-pyridyloxy)tetrahydro-1H-pyrrol-2-yl](1-pyrrolidinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-0941
[(2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-(3-pyridyloxy)tetrahydro-1H-pyrrol-2-yl](1-pyrrolidinyl)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

S721-0941

Molecular Formula

C19H24N4O5S (C19 H24 N4 O5 S)

Compound Name

[(2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-(3-pyridyloxy)tetrahydro-1H-pyrrol-2-yl](1-pyrrolidinyl)methanone

IUPAC name

3-{[(3S5S)-1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]oxy}pyridine

SMILES

Cc1noc(C)c1S(N(C[C@H](C1)Oc2cnccc2)[C@@H]1C(N1CCCC1)=O)(=O)=O

InChI

InChI=1S/C19H24N4O5S/c1-13-18(14(2)28-21-13)29(25,26)23-12-16(27-15-6-5-7-20-11-15)10-17(23)19(24)22-8-3-4-9-22/h5-7,11,16-17H,3-4,8-10,12H2,1-2H3/t16-,17+/m1/s1

InChI Key

CDHIJDRQFNLGGO-SJORKVTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.800

Distribution Coefficient, logD

0.795

Water Solubility, LogSw

-1.55

Polar Surface Area

87.552

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.63

S721-0941 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S721-0941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-0941?
Check Price and Availability of S721-0941, 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 S721-0941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-0941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-0941
  • 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 S721-0941 available by request