SA46-1245 Screening compound: 3-(3-{7-[benzyl(methyl)amino]-5-oxa-2-azaspiro[3.4]octan-2-yl}-3-oxopropyl)-2,3-dihydro-1,3-benzoxazol-2-one

SA46-1245 Screening compound: 3-(3-{7-[benzyl(methyl)amino]-5-oxa-2-azaspiro[3.4]octan-2-yl}-3-oxopropyl)-2,3-dihydro-1,3-benzoxazol-2-one
SA46-1245 Screening compound: 3-(3-{7-[benzyl(methyl)amino]-5-oxa-2-azaspiro[3.4]octan-2-yl}-3-oxopropyl)-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-1245
3-(3-{7-[benzyl(methyl)amino]-5-oxa-2-azaspiro[3.4]octan-2-yl}-3-oxopropyl)-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

SA46-1245

Molecular Formula

C24H27N3O4 (C24 H27 N3 O4)

Compound Name

3-(3-{7-[benzyl(methyl)amino]-5-oxa-2-azaspiro[3.4]octan-2-yl}-3-oxopropyl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-(3-{7-[benzyl(methyl)amino]-5-oxa-2-azaspiro[3.4]octan-2-yl}-3-oxopropyl)-23-dihydro-13-benzoxazol-2-one

SMILES

CN(Cc1ccccc1)C1COC(C2)(CN2C(CCN(c(cccc2)c2O2)C2=O)=O)C1

InChI

InChI=1S/C24H27N3O4/c1-25(14-18-7-3-2-4-8-18)19-13-24(30-15-19)16-26(17-24)22(28)11-12-27-20-9-5-6-10-21(20)31-23(27)29/h2-10,19H,11-17H2,1H3/t19-/m1/s1

InChI Key

OSUJXPCDKIHSSL-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32237256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.289

Distribution Coefficient, logD

2.137

Water Solubility, LogSw

-2.73

Polar Surface Area

49.697

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

SA46-1245 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA46-1245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-1245?
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What is the minimum amount of SA46-1245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-1245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-1245
  • 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 SA46-1245 available by request