S831-0770 Screening compound: [(3S,4S)-3-[(CYCLOPROPYLMETHOXY)METHYL]-4-(2-PYRIDYL)TETRAHYDRO-1H-PYRROL-1-YL](1,3-OXAZOL-5-YL)METHANONE

S831-0770 Screening compound: [(3S,4S)-3-[(CYCLOPROPYLMETHOXY)METHYL]-4-(2-PYRIDYL)TETRAHYDRO-1H-PYRROL-1-YL](1,3-OXAZOL-5-YL)METHANONE
S831-0770 Screening compound: [(3S,4S)-3-[(CYCLOPROPYLMETHOXY)METHYL]-4-(2-PYRIDYL)TETRAHYDRO-1H-PYRROL-1-YL](1,3-OXAZOL-5-YL)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S831-0770
[(3S,4S)-3-[(CYCLOPROPYLMETHOXY)METHYL]-4-(2-PYRIDYL)TETRAHYDRO-1H-PYRROL-1-YL](1,3-OXAZOL-5-YL)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

S831-0770

Molecular Formula

C18H21N3O3 (C18 H21 N3 O3)

Compound Name

[(3S,4S)-3-[(CYCLOPROPYLMETHOXY)METHYL]-4-(2-PYRIDYL)TETRAHYDRO-1H-PYRROL-1-YL](1,3-OXAZOL-5-YL)METHANONE

IUPAC name

2-[(3S4S)-4-[(cyclopropylmethoxy)methyl]-1-(13-oxazole-5-carbonyl)pyrrolidin-3-yl]pyridine

SMILES

O=C(c1cnco1)N(C[C@@H]1COCC2CC2)C[C@@H]1c1ncccc1

InChI

InChI=1S/C18H21N3O3/c22-18(17-7-19-12-24-17)21-8-14(11-23-10-13-4-5-13)15(9-21)16-3-1-2-6-20-16/h1-3,6-7,12-15H,4-5,8-11H2/t14-,15+/m0/s1

InChI Key

VZJHRCPPFIGKPW-LSDHHAIUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.149

Distribution Coefficient, logD

1.149

Water Solubility, LogSw

-1.83

Polar Surface Area

53.156

Acid Dissociation Constant (pKa)

24.03

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S831-0770 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S831-0770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S831-0770?
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What is the minimum amount of S831-0770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S831-0770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S831-0770
  • 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 S831-0770 available by request