S640-4898 Screening compound: 1-((3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-{[4-(2-pyrimidinyl)piperazino]carbonyl}tetrahydro-1H-pyrrol-1-yl)-1-ethanone

S640-4898 Screening compound: 1-((3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-{[4-(2-pyrimidinyl)piperazino]carbonyl}tetrahydro-1H-pyrrol-1-yl)-1-ethanone
S640-4898 Screening compound: 1-((3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-{[4-(2-pyrimidinyl)piperazino]carbonyl}tetrahydro-1H-pyrrol-1-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S640-4898
1-((3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-{[4-(2-pyrimidinyl)piperazino]carbonyl}tetrahydro-1H-pyrrol-1-yl)-1-ethanone

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

S640-4898

Molecular Formula

C18H23N7O3 (C18 H23 N7 O3)

Compound Name

1-((3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-{[4-(2-pyrimidinyl)piperazino]carbonyl}tetrahydro-1H-pyrrol-1-yl)-1-ethanone

IUPAC name

1-[(3S4S)-3-(3-methyl-124-oxadiazol-5-yl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethan-1-one

SMILES

CC(N(C[C@@H]1C(N(CC2)CCN2c2ncccn2)=O)C[C@@H]1c1nc(C)no1)=O

InChI

InChI=1S/C18H23N7O3/c1-12-21-16(28-22-12)14-10-25(13(2)26)11-15(14)17(27)23-6-8-24(9-7-23)18-19-4-3-5-20-18/h3-5,14-15H,6-11H2,1-2H3/t14-,15-/m0/s1

InChI Key

JOKWJTHTPHHIAW-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.321

Distribution Coefficient, logD

0.321

Water Solubility, LogSw

-1.37

Polar Surface Area

87.420

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

S640-4898 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S640-4898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S640-4898?
Check Price and Availability of S640-4898, 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 S640-4898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S640-4898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S640-4898
  • 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 S640-4898 available by request