S640-5998 Screening compound: (3S,4S)-4-[3-(METHOXYMETHYL)-1,2,4-OXADIAZOL-5-YL]-N-METHYL-1-[2-(2-METHYL-1H-IMIDAZOL-1-YL)ACETYL]TETRAHYDRO-1H-PYRROLE-3-CARBOXAMIDE

S640-5998 Screening compound: (3S,4S)-4-[3-(METHOXYMETHYL)-1,2,4-OXADIAZOL-5-YL]-N-METHYL-1-[2-(2-METHYL-1H-IMIDAZOL-1-YL)ACETYL]TETRAHYDRO-1H-PYRROLE-3-CARBOXAMIDE
S640-5998 Screening compound: (3S,4S)-4-[3-(METHOXYMETHYL)-1,2,4-OXADIAZOL-5-YL]-N-METHYL-1-[2-(2-METHYL-1H-IMIDAZOL-1-YL)ACETYL]TETRAHYDRO-1H-PYRROLE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S640-5998
(3S,4S)-4-[3-(METHOXYMETHYL)-1,2,4-OXADIAZOL-5-YL]-N-METHYL-1-[2-(2-METHYL-1H-IMIDAZOL-1-YL)ACETYL]TETRAHYDRO-1H-PYRROLE-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

S640-5998

Molecular Formula

C16H22N6O4 (C16 H22 N6 O4)

Compound Name

(3S,4S)-4-[3-(METHOXYMETHYL)-1,2,4-OXADIAZOL-5-YL]-N-METHYL-1-[2-(2-METHYL-1H-IMIDAZOL-1-YL)ACETYL]TETRAHYDRO-1H-PYRROLE-3-CARBOXAMIDE

IUPAC name

(3S4S)-4-[3-(methoxymethyl)-124-oxadiazol-5-yl]-N-methyl-1-[2-(2-methyl-1H-imidazol-1-yl)acetyl]pyrrolidine-3-carboxamide

SMILES

Cc1nccn1CC(N(C[C@@H]1C(NC)=O)C[C@@H]1c1nc(COC)no1)=O

InChI

InChI=1S/C16H22N6O4/c1-10-18-4-5-21(10)8-14(23)22-6-11(15(24)17-2)12(7-22)16-19-13(9-25-3)20-26-16/h4-5,11-12H,6-9H2,1-3H3,(H,17,24)/t11-,12-/m0/s1

InChI Key

LRMUPVLEKBKANH-RYUDHWBXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.470

Distribution Coefficient, logD

-2.495

Water Solubility, LogSw

-1.67

Polar Surface Area

95.077

Acid Dissociation Constant (pKa)

14.42

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.30

S640-5998 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S640-5998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S640-5998?
Check Price and Availability of S640-5998, 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 S640-5998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S640-5998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S640-5998
  • 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 S640-5998 available by request