S639-2226 Screening compound: (3R,4S)-3-[(dimethylamino)methyl]-4-{[(3,5-dimethyl-4-isoxazolyl)sulfonyl]amino}-N~1~-methyltetrahydro-1H-pyrrole-1-carboxamide

S639-2226 Screening compound: (3R,4S)-3-[(dimethylamino)methyl]-4-{[(3,5-dimethyl-4-isoxazolyl)sulfonyl]amino}-N~1~-methyltetrahydro-1H-pyrrole-1-carboxamide
S639-2226 Screening compound: (3R,4S)-3-[(dimethylamino)methyl]-4-{[(3,5-dimethyl-4-isoxazolyl)sulfonyl]amino}-N~1~-methyltetrahydro-1H-pyrrole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-2226
(3R,4S)-3-[(dimethylamino)methyl]-4-{[(3,5-dimethyl-4-isoxazolyl)sulfonyl]amino}-N~1~-methyltetrahydro-1H-pyrrole-1-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

S639-2226

Molecular Formula

C14H25N5O4S (C14 H25 N5 O4 S)

Compound Name

(3R,4S)-3-[(dimethylamino)methyl]-4-{[(3,5-dimethyl-4-isoxazolyl)sulfonyl]amino}-N~1~-methyltetrahydro-1H-pyrrole-1-carboxamide

IUPAC name

n/a

SMILES

Cc1noc(C)c1S(N[C@@H](C1)[C@@H](CN(C)C)CN1C(NC)=O)(=O)=O

InChI

InChI=1S/C14H25N5O4S/c1-9-13(10(2)23-16-9)24(21,22)17-12-8-19(14(20)15-3)7-11(12)6-18(4)5/h11-12,17H,6-8H2,1-5H3,(H,15,20)/t11-,12-/m0/s1

InChI Key

OIYRIEYSBXVKOU-RYUDHWBXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.626

Distribution Coefficient, logD

-2.751

Water Solubility, LogSw

-1.73

Polar Surface Area

95.505

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

9.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

71.40

S639-2226 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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S639-2226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-2226?
Check Price and Availability of S639-2226, 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 S639-2226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-2226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-2226
  • 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 S639-2226 available by request