SA47-0469 Screening compound: 7-ethyl-2-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-oxa-2-azaspiro[3.4]octan-7-ol

SA47-0469 Screening compound: 7-ethyl-2-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-oxa-2-azaspiro[3.4]octan-7-ol
SA47-0469 Screening compound: 7-ethyl-2-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-oxa-2-azaspiro[3.4]octan-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound SA47-0469
7-ethyl-2-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-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

SA47-0469

Molecular Formula

C19H26N4O4 (C19 H26 N4 O4)

Compound Name

7-ethyl-2-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-oxa-2-azaspiro[3.4]octan-7-ol

IUPAC name

7-ethyl-2-[5-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)-12-oxazole-3-carbonyl]-5-oxa-2-azaspiro[3.4]octan-7-ol

SMILES

CCC1(COC(C2)(CN2C(c2noc(-c3c(C)n(CC)nc3C)c2)=O)C1)O

InChI

InChI=1S/C19H26N4O4/c1-5-18(25)8-19(26-11-18)9-22(10-19)17(24)14-7-15(27-21-14)16-12(3)20-23(6-2)13(16)4/h7,25H,5-6,8-11H2,1-4H3/t18-/m0/s1

InChI Key

YWTDBGVPZOMYNJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32237671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.105

Distribution Coefficient, logD

1.105

Water Solubility, LogSw

-1.44

Polar Surface Area

75.937

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

SA47-0469 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)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA47-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA47-0469?
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What is the minimum amount of SA47-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA47-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA47-0469
  • 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 SA47-0469 available by request