SA64-0785 Screening compound: N~1~-{[9-(2-ethoxyacetyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}benzamide

SA64-0785 Screening compound: N~1~-{[9-(2-ethoxyacetyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}benzamide
SA64-0785 Screening compound: N~1~-{[9-(2-ethoxyacetyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA64-0785
N~1~-{[9-(2-ethoxyacetyl)-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

SA64-0785

Molecular Formula

C21H30N2O4 (C21 H30 N2 O4)

Compound Name

N~1~-{[9-(2-ethoxyacetyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}benzamide

IUPAC name

N-{[9-(2-ethoxyacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}benzamide

SMILES

CCOCC(N(CC1)CCC11OCCC(CNC(c2ccccc2)=O)C1)=O

InChI

InChI=1S/C21H30N2O4/c1-2-26-16-19(24)23-11-9-21(10-12-23)14-17(8-13-27-21)15-22-20(25)18-6-4-3-5-7-18/h3-7,17H,2,8-16H2,1H3,(H,22,25)/t17-/m0/s1

InChI Key

YSMYZNWZMRUFFY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32239080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.323

Distribution Coefficient, logD

1.323

Water Solubility, LogSw

-1.99

Polar Surface Area

55.705

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SA64-0785 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 SA64-0785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA64-0785?
Check Price and Availability of SA64-0785, 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 SA64-0785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA64-0785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA64-0785
  • 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 SA64-0785 available by request