SA49-0177 Screening compound: N-(cyclopropylmethyl)-2-{2-[2-(3-methylphenyl)acetyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}acetamide

SA49-0177 Screening compound: N-(cyclopropylmethyl)-2-{2-[2-(3-methylphenyl)acetyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}acetamide
SA49-0177 Screening compound: N-(cyclopropylmethyl)-2-{2-[2-(3-methylphenyl)acetyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA49-0177
N-(cyclopropylmethyl)-2-{2-[2-(3-methylphenyl)acetyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}acetamide

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

SA49-0177

Molecular Formula

C21H28N2O3 (C21 H28 N2 O3)

Compound Name

N-(cyclopropylmethyl)-2-{2-[2-(3-methylphenyl)acetyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}acetamide

IUPAC name

N-(cyclopropylmethyl)-2-{2-[2-(3-methylphenyl)acetyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}acetamide

SMILES

Cc1cccc(CC(N(C2)CC22OCC(CC(NCC3CC3)=O)C2)=O)c1

InChI

InChI=1S/C21H28N2O3/c1-15-3-2-4-17(7-15)9-20(25)23-13-21(14-23)10-18(12-26-21)8-19(24)22-11-16-5-6-16/h2-4,7,16,18H,5-6,8-14H2,1H3,(H,22,24)/t18-/m1/s1

InChI Key

DIFDNCXGFNWTNK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32238397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.716

Distribution Coefficient, logD

2.716

Water Solubility, LogSw

-2.88

Polar Surface Area

48.746

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SA49-0177 in Drug Discovery

Included in Screening Libraries

Peptidomimetic Library (37031 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 SA49-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA49-0177?
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What is the minimum amount of SA49-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA49-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA49-0177
  • 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 SA49-0177 available by request