SA47-0050 Screening compound: 2-{5-methyl-4-[(morpholin-4-yl)methyl]-1,2-oxazole-3-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-ol

SA47-0050 Screening compound: 2-{5-methyl-4-[(morpholin-4-yl)methyl]-1,2-oxazole-3-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-ol
SA47-0050 Screening compound: 2-{5-methyl-4-[(morpholin-4-yl)methyl]-1,2-oxazole-3-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound SA47-0050
2-{5-methyl-4-[(morpholin-4-yl)methyl]-1,2-oxazole-3-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-ol

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

SA47-0050

Molecular Formula

C16H23N3O5 (C16 H23 N3 O5)

Compound Name

2-{5-methyl-4-[(morpholin-4-yl)methyl]-1,2-oxazole-3-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-ol

IUPAC name

2-{5-methyl-4-[(morpholin-4-yl)methyl]-12-oxazole-3-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-ol

SMILES

Cc1c(CN2CCOCC2)c(C(N(C2)CC2(C2)OCC2O)=O)no1

InChI

InChI=1S/C16H23N3O5/c1-11-13(7-18-2-4-22-5-3-18)14(17-24-11)15(21)19-9-16(10-19)6-12(20)8-23-16/h12,20H,2-10H2,1H3/t12-/m1/s1

InChI Key

JFUDDCNEBBCKHO-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD32236786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.565

Distribution Coefficient, logD

-3.598

Water Solubility, LogSw

-0.13

Polar Surface Area

74.146

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

10.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

SA47-0050 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA47-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA47-0050?
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What is the minimum amount of SA47-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA47-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA47-0050
  • 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 SA47-0050 available by request