SA49-0369 Screening compound: 2-{2-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(pyrrolidin-1-yl)ethan-1-one

SA49-0369 Screening compound: 2-{2-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(pyrrolidin-1-yl)ethan-1-one
SA49-0369 Screening compound: 2-{2-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA49-0369
2-{2-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(pyrrolidin-1-yl)ethan-1-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

SA49-0369

Molecular Formula

C23H35N3O4 (C23 H35 N3 O4)

Compound Name

2-{2-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-{2-[1-(3-methoxypropyl)-25-dimethyl-1H-pyrrole-3-carbonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

Cc1cc(C(N(C2)CC22OCC(CC(N3CCCC3)=O)C2)=O)c(C)n1CCCOC

InChI

InChI=1S/C23H35N3O4/c1-17-11-20(18(2)26(17)9-6-10-29-3)22(28)25-15-23(16-25)13-19(14-30-23)12-21(27)24-7-4-5-8-24/h11,19H,4-10,12-16H2,1-3H3/t19-/m1/s1

InChI Key

RHVQERGJNTXRJA-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32238187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.769

Distribution Coefficient, logD

1.769

Water Solubility, LogSw

-2.16

Polar Surface Area

51.551

Acid Dissociation Constant (pKa)

24.93

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.91

SA49-0369 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)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA49-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA49-0369?
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What is the minimum amount of SA49-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA49-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA49-0369
  • 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 SA49-0369 available by request