SA64-0892 Screening compound: N~4~-({9-[(5-methyl-2-thienyl)carbonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)isonicotinamide

SA64-0892 Screening compound: N~4~-({9-[(5-methyl-2-thienyl)carbonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)isonicotinamide
SA64-0892 Screening compound: N~4~-({9-[(5-methyl-2-thienyl)carbonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)isonicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA64-0892
N~4~-({9-[(5-methyl-2-thienyl)carbonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)isonicotinamide

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

SA64-0892

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

N~4~-({9-[(5-methyl-2-thienyl)carbonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)isonicotinamide

IUPAC name

N-{[9-(5-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}pyridine-4-carboxamide

SMILES

Cc1ccc(C(N(CC2)CCC22OCCC(CNC(c3ccncc3)=O)C2)=O)s1

InChI

InChI=1S/C22H27N3O3S/c1-16-2-3-19(29-16)21(27)25-11-7-22(8-12-25)14-17(6-13-28-22)15-24-20(26)18-4-9-23-10-5-18/h2-5,9-10,17H,6-8,11-15H2,1H3,(H,24,26)/t17-/m1/s1

InChI Key

VZBPLQSLFLSTFK-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32239411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.397

Distribution Coefficient, logD

2.396

Water Solubility, LogSw

-2.40

Polar Surface Area

58.349

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA64-0892 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 SA64-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA64-0892?
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What is the minimum amount of SA64-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA64-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA64-0892
  • 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 SA64-0892 available by request