SA49-1005 Screening compound: 2-{5-oxa-2-azaspiro[3.4]octan-7-yl}-N-[(pyridin-4-yl)methyl]acetamide

SA49-1005 Screening compound: 2-{5-oxa-2-azaspiro[3.4]octan-7-yl}-N-[(pyridin-4-yl)methyl]acetamide
SA49-1005 Screening compound: 2-{5-oxa-2-azaspiro[3.4]octan-7-yl}-N-[(pyridin-4-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA49-1005
2-{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

SA49-1005

Molecular Formula

C14H19N3O2 (C14 H19 N3 O2)

Compound Name

2-{5-oxa-2-azaspiro[3.4]octan-7-yl}-N-[(pyridin-4-yl)methyl]acetamide

IUPAC name

2-{5-oxa-2-azaspiro[3.4]octan-7-yl}-N-[(pyridin-4-yl)methyl]acetamide

SMILES

O=C(CC1COC2(CNC2)C1)NCc1ccncc1

InChI

InChI=1S/C14H19N3O2/c18-13(17-7-11-1-3-15-4-2-11)5-12-6-14(19-8-12)9-16-10-14/h1-4,12,16H,5-10H2,(H,17,18)/t12-/m0/s1

InChI Key

RNKDIPLJDNMZED-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD32200504

Chemical and Physical Properties

Saltdata

2CF3COOH

Molecular Weight

261.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.164

Distribution Coefficient, logD

-2.024

Water Solubility, LogSw

-0.99

Polar Surface Area

53.679

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

9.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

SA49-1005 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA49-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA49-1005?
Check Price and Availability of SA49-1005, 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 SA49-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA49-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA49-1005
  • 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 SA49-1005 available by request