SA64-1176 Screening compound: N~3~-{[9-(3-methoxy-2-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}nicotinamide

SA64-1176 Screening compound: N~3~-{[9-(3-methoxy-2-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}nicotinamide
SA64-1176 Screening compound: N~3~-{[9-(3-methoxy-2-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA64-1176
N~3~-{[9-(3-methoxy-2-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}nicotinamide

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

SA64-1176

Molecular Formula

C25H31N3O4 (C25 H31 N3 O4)

Compound Name

N~3~-{[9-(3-methoxy-2-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}nicotinamide

IUPAC name

N-{[9-(3-methoxy-2-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}pyridine-3-carboxamide

SMILES

Cc(c(OC)ccc1)c1C(N(CC1)CCC11OCCC(CNC(c2cnccc2)=O)C1)=O

InChI

InChI=1S/C25H31N3O4/c1-18-21(6-3-7-22(18)31-2)24(30)28-12-9-25(10-13-28)15-19(8-14-32-25)16-27-23(29)20-5-4-11-26-17-20/h3-7,11,17,19H,8-10,12-16H2,1-2H3,(H,27,29)/t19-/m1/s1

InChI Key

IZUBLUDCWWZFOA-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32239574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.199

Distribution Coefficient, logD

2.199

Water Solubility, LogSw

-2.37

Polar Surface Area

65.050

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

SA64-1176 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)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA64-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA64-1176?
Check Price and Availability of SA64-1176, 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 SA64-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA64-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA64-1176
  • 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 SA64-1176 available by request