S699-0327 Screening compound: N-(2-{5-[1-(2-methoxyacetyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylcyclopropanecarboxamide

S699-0327 Screening compound: N-(2-{5-[1-(2-methoxyacetyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylcyclopropanecarboxamide
S699-0327 Screening compound: N-(2-{5-[1-(2-methoxyacetyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylcyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S699-0327
N-(2-{5-[1-(2-methoxyacetyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylcyclopropanecarboxamide

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

S699-0327

Molecular Formula

C15H22N4O4 (C15 H22 N4 O4)

Compound Name

N-(2-{5-[1-(2-methoxyacetyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylcyclopropanecarboxamide

IUPAC name

N-(2-{5-[1-(2-methoxyacetyl)azetidin-3-yl]-124-oxadiazol-3-yl}ethyl)-N-methylcyclopropanecarboxamide

SMILES

CN(CCc1noc(C(C2)CN2C(COC)=O)n1)C(C1CC1)=O

InChI

InChI=1S/C15H22N4O4/c1-18(15(21)10-3-4-10)6-5-12-16-14(23-17-12)11-7-19(8-11)13(20)9-22-2/h10-11H,3-9H2,1-2H3

InChI Key

DBJQEBCCJSEORQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31997235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.003

Distribution Coefficient, logD

0.003

Water Solubility, LogSw

0.04

Polar Surface Area

74.573

Acid Dissociation Constant (pKa)

21.56

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.33

S699-0327 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S699-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S699-0327?
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What is the minimum amount of S699-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S699-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S699-0327
  • 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 S699-0327 available by request