SA46-1169 Screening compound: 6-chloro-3-{2-oxo-2-[7-(pyrrolidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethyl}-2,3-dihydro-1,3-benzoxazol-2-one

SA46-1169 Screening compound: 6-chloro-3-{2-oxo-2-[7-(pyrrolidin-1-yl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethyl}-2,3-dihydro-1,3-benzoxazol-2-one
SA46-1169 Screening compound: 6-chloro-3-{2-oxo-2-[7-(pyrrolidin-1-yl)-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 SA46-1169
6-chloro-3-{2-oxo-2-[7-(pyrrolidin-1-yl)-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

SA46-1169

Molecular Formula

C19H22ClN3O4 (C19 H22 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(ccc(Cl)c1)c1O1)C1=O)N(C1)CC1(C1)OCC1N1CCCC1

InChI

InChI=1S/C19H22ClN3O4/c20-13-3-4-15-16(7-13)27-18(25)23(15)9-17(24)22-11-19(12-22)8-14(10-26-19)21-5-1-2-6-21/h3-4,7,14H,1-2,5-6,8-12H2/t14-/m1/s1

InChI Key

JHXXQHSHFWQICV-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32237149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.812

Distribution Coefficient, logD

0.557

Water Solubility, LogSw

-2.69

Polar Surface Area

50.583

Acid Dissociation Constant (pKa)

20.88

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

SA46-1169 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 BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA46-1169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-1169?
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What is the minimum amount of SA46-1169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-1169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-1169
  • 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 SA46-1169 available by request