SA64-1108 Screening compound: N~2~-({9-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)-2-pyridinecarboxamide

SA64-1108 Screening compound: N~2~-({9-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)-2-pyridinecarboxamide
SA64-1108 Screening compound: N~2~-({9-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)-2-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA64-1108
N~2~-({9-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)-2-pyridinecarboxamide

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

SA64-1108

Molecular Formula

C22H29N5O3 (C22 H29 N5 O3)

Compound Name

N~2~-({9-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)-2-pyridinecarboxamide

IUPAC name

N-{[9-(15-dimethyl-1H-pyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}pyridine-2-carboxamide

SMILES

Cc1cc(C(N(CC2)CCC22OCCC(CNC(c3ncccc3)=O)C2)=O)nn1C

InChI

InChI=1S/C22H29N5O3/c1-16-13-19(25-26(16)2)21(29)27-10-7-22(8-11-27)14-17(6-12-30-22)15-24-20(28)18-5-3-4-9-23-18/h3-5,9,13,17H,6-8,10-12,14-15H2,1-2H3,(H,24,28)/t17-/m0/s1

InChI Key

DXANHWHUPOMVDC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32239335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.898

Distribution Coefficient, logD

0.898

Water Solubility, LogSw

-1.97

Polar Surface Area

71.436

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

SA64-1108 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 SA64-1108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA64-1108?
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What is the minimum amount of SA64-1108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA64-1108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA64-1108
  • 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 SA64-1108 available by request