SA49-1396 Screening compound: 2-[2-(2,3-dihydro-1H-indene-5-sulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-N-[(pyridin-4-yl)methyl]acetamide

SA49-1396 Screening compound: 2-[2-(2,3-dihydro-1H-indene-5-sulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-N-[(pyridin-4-yl)methyl]acetamide
SA49-1396 Screening compound: 2-[2-(2,3-dihydro-1H-indene-5-sulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-N-[(pyridin-4-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA49-1396
2-[2-(2,3-dihydro-1H-indene-5-sulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-N-[(pyridin-4-yl)methyl]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

SA49-1396

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

2-[2-(2,3-dihydro-1H-indene-5-sulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-N-[(pyridin-4-yl)methyl]acetamide

IUPAC name

2-[2-(23-dihydro-1H-indene-5-sulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-N-[(pyridin-4-yl)methyl]acetamide

SMILES

O=C(CC1COC(C2)(CN2S(c2cc(CCC3)c3cc2)(=O)=O)C1)NCc1ccncc1

InChI

InChI=1S/C23H27N3O4S/c27-22(25-13-17-6-8-24-9-7-17)10-18-12-23(30-14-18)15-26(16-23)31(28,29)21-5-4-19-2-1-3-20(19)11-21/h4-9,11,18H,1-3,10,12-16H2,(H,25,27)/t18-/m1/s1

InChI Key

FFWPCJSNRYFSAT-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32238364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.303

Distribution Coefficient, logD

2.299

Water Solubility, LogSw

-2.87

Polar Surface Area

73.528

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.83

SA49-1396 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA49-1396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA49-1396?
Check Price and Availability of SA49-1396, 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 SA49-1396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA49-1396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA49-1396
  • 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 SA49-1396 available by request