SA49-0362 Screening compound: 3-(2-oxo-2-{7-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl}ethyl)-2,3-dihydro-1,3-benzoxazol-2-one

SA49-0362 Screening compound: 3-(2-oxo-2-{7-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl}ethyl)-2,3-dihydro-1,3-benzoxazol-2-one
SA49-0362 Screening compound: 3-(2-oxo-2-{7-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl}ethyl)-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA49-0362
3-(2-oxo-2-{7-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl}ethyl)-2,3-dihydro-1,3-benzoxazol-2-one

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

SA49-0362

Molecular Formula

C21H25N3O5 (C21 H25 N3 O5)

Compound Name

3-(2-oxo-2-{7-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl}ethyl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-(2-oxo-2-{7-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl}ethyl)-23-dihydro-13-benzoxazol-2-one

SMILES

O=C(CN(c(cccc1)c1O1)C1=O)N(C1)CC11OCC(CC(N2CCCC2)=O)C1

InChI

InChI=1S/C21H25N3O5/c25-18(22-7-3-4-8-22)9-15-10-21(28-12-15)13-23(14-21)19(26)11-24-16-5-1-2-6-17(16)29-20(24)27/h1-2,5-6,15H,3-4,7-14H2/t15-/m1/s1

InChI Key

KOUODEDJMJVAAO-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32238182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.366

Distribution Coefficient, logD

1.366

Water Solubility, LogSw

-1.94

Polar Surface Area

63.610

Acid Dissociation Constant (pKa)

21.27

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

SA49-0362 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Soluble Diversity Library (15920 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 SA49-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA49-0362?
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What is the minimum amount of SA49-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA49-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA49-0362
  • 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 SA49-0362 available by request