SA64-0749 Screening compound: N~1~-{[9-(cyclohexylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}benzamide

SA64-0749 Screening compound: N~1~-{[9-(cyclohexylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}benzamide
SA64-0749 Screening compound: N~1~-{[9-(cyclohexylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA64-0749
N~1~-{[9-(cyclohexylcarbonyl)-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

SA64-0749

Molecular Formula

C24H34N2O3 (C24 H34 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCCCC1)N(CC1)CCC11OCCC(CNC(c2ccccc2)=O)C1

InChI

InChI=1S/C24H34N2O3/c27-22(20-7-3-1-4-8-20)25-18-19-11-16-29-24(17-19)12-14-26(15-13-24)23(28)21-9-5-2-6-10-21/h1,3-4,7-8,19,21H,2,5-6,9-18H2,(H,25,27)/t19-/m0/s1

InChI Key

KOJNKEIABMHDDO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32238990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.393

Distribution Coefficient, logD

3.393

Water Solubility, LogSw

-3.54

Polar Surface Area

48.094

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SA64-0749 in Drug Discovery

Included in Screening Libraries

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 SA64-0749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA64-0749?
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What is the minimum amount of SA64-0749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA64-0749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA64-0749
  • 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 SA64-0749 available by request