SA46-1701 Screening compound: 3-{3-oxo-3-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]propyl}-2,3-dihydro-1,3-benzoxazol-2-one

SA46-1701 Screening compound: 3-{3-oxo-3-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]propyl}-2,3-dihydro-1,3-benzoxazol-2-one
SA46-1701 Screening compound: 3-{3-oxo-3-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]propyl}-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-1701
3-{3-oxo-3-[7-(piperidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]propyl}-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

SA46-1701

Molecular Formula

C21H27N3O4 (C21 H27 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCN(c(cccc1)c1O1)C1=O)N(C1)CC1(C1)OCC1N1CCCCC1

InChI

InChI=1S/C21H27N3O4/c25-19(8-11-24-17-6-2-3-7-18(17)28-20(24)26)23-14-21(15-23)12-16(13-27-21)22-9-4-1-5-10-22/h2-3,6-7,16H,1,4-5,8-15H2/t16-/m1/s1

InChI Key

RTTLTGKLWZJVFJ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32236965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.633

Distribution Coefficient, logD

0.775

Water Solubility, LogSw

-2.07

Polar Surface Area

50.195

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SA46-1701 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA46-1701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-1701?
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What is the minimum amount of SA46-1701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-1701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-1701
  • 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 SA46-1701 available by request