S640-3049 Screening compound: 1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide

S640-3049 Screening compound: 1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
S640-3049 Screening compound: 1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S640-3049
1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-4-[3-(methoxymethyl)-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

S640-3049

Molecular Formula

C18H22N4O4 (C18 H22 N4 O4)

Compound Name

1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide

IUPAC name

(3S4S)-1-[(23-dihydro-1-benzofuran-5-yl)methyl]-4-[3-(methoxymethyl)-124-oxadiazol-5-yl]pyrrolidine-3-carboxamide

SMILES

COCc1noc([C@@H](CN(Cc(cc2)cc3c2OCC3)C2)[C@H]2C(N)=O)n1

InChI

InChI=1S/C18H22N4O4/c1-24-10-16-20-18(26-21-16)14-9-22(8-13(14)17(19)23)7-11-2-3-15-12(6-11)4-5-25-15/h2-3,6,13-14H,4-5,7-10H2,1H3,(H2,19,23)/t13-,14-/m0/s1

InChI Key

MUICYEIMVSCFTN-KBPBESRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.700

Distribution Coefficient, logD

-2.214

Water Solubility, LogSw

-2.06

Polar Surface Area

87.592

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

10.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S640-3049 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
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 S640-3049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S640-3049?
Check Price and Availability of S640-3049, 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 S640-3049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S640-3049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S640-3049
  • 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 S640-3049 available by request