SA49-0280 Screening compound: N-(2-phenylethyl)-7-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide

SA49-0280 Screening compound: N-(2-phenylethyl)-7-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
SA49-0280 Screening compound: N-(2-phenylethyl)-7-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA49-0280
N-(2-phenylethyl)-7-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide

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

SA49-0280

Molecular Formula

C23H28N4O3 (C23 H28 N4 O3)

Compound Name

N-(2-phenylethyl)-7-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide

IUPAC name

N-(2-phenylethyl)-7-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide

SMILES

O=C(CC1COC(C2)(CN2C(NCCc2ccccc2)=O)C1)NCc1ccncc1

InChI

InChI=1S/C23H28N4O3/c28-21(26-14-19-6-9-24-10-7-19)12-20-13-23(30-15-20)16-27(17-23)22(29)25-11-8-18-4-2-1-3-5-18/h1-7,9-10,20H,8,11-17H2,(H,25,29)(H,26,28)/t20-/m1/s1

InChI Key

MSWORQLXZWTWHF-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32237792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.563

Distribution Coefficient, logD

1.560

Water Solubility, LogSw

-1.76

Polar Surface Area

68.163

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

SA49-0280 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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 SA49-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA49-0280?
Check Price and Availability of SA49-0280, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA49-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA49-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA49-0280
  • 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 SA49-0280 available by request