SA64-0871 Screening compound: N-({9-[3-(1H-imidazol-1-yl)propanoyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)benzamide

SA64-0871 Screening compound: N-({9-[3-(1H-imidazol-1-yl)propanoyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)benzamide
SA64-0871 Screening compound: N-({9-[3-(1H-imidazol-1-yl)propanoyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA64-0871
N-({9-[3-(1H-imidazol-1-yl)propanoyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)benzamide

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

SA64-0871

Molecular Formula

C23H30N4O3 (C23 H30 N4 O3)

Compound Name

N-({9-[3-(1H-imidazol-1-yl)propanoyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)benzamide

IUPAC name

N-({9-[3-(1H-imidazol-1-yl)propanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}methyl)benzamide

SMILES

O=C(CCn1cncc1)N(CC1)CCC11OCCC(CNC(c2ccccc2)=O)C1

InChI

InChI=1S/C23H30N4O3/c28-21(6-11-26-14-10-24-18-26)27-12-8-23(9-13-27)16-19(7-15-30-23)17-25-22(29)20-4-2-1-3-5-20/h1-5,10,14,18-19H,6-9,11-13,15-17H2,(H,25,29)/t19-/m0/s1

InChI Key

LWJHICKESCRIKB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32239362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.041

Distribution Coefficient, logD

0.954

Water Solubility, LogSw

-1.55

Polar Surface Area

60.175

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.17

SA64-0871 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SA64-0871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA64-0871?
Check Price and Availability of SA64-0871, 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 SA64-0871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA64-0871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA64-0871
  • 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 SA64-0871 available by request