SA64-1090 Screening compound: N-({9-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)-2-pyridinecarboxamide

SA64-1090 Screening compound: N-({9-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)-2-pyridinecarboxamide
SA64-1090 Screening compound: N-({9-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)-2-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA64-1090
N-({9-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-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

SA64-1090

Molecular Formula

C24H32N4O4 (C24 H32 N4 O4)

Compound Name

N-({9-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)-2-pyridinecarboxamide

IUPAC name

N-({9-[3-(35-dimethyl-12-oxazol-4-yl)propanoyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}methyl)pyridine-2-carboxamide

SMILES

Cc1noc(C)c1CCC(N(CC1)CCC11OCCC(CNC(c2ncccc2)=O)C1)=O

InChI

InChI=1S/C24H32N4O4/c1-17-20(18(2)32-27-17)6-7-22(29)28-12-9-24(10-13-28)15-19(8-14-31-24)16-26-23(30)21-5-3-4-11-25-21/h3-5,11,19H,6-10,12-16H2,1-2H3,(H,26,30)/t19-/m0/s1

InChI Key

KDQQNZJXWOZWGJ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32239295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.576

Distribution Coefficient, logD

1.576

Water Solubility, LogSw

-2.04

Polar Surface Area

78.461

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.33

SA64-1090 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 SA64-1090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA64-1090?
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What is the minimum amount of SA64-1090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA64-1090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA64-1090
  • 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 SA64-1090 available by request