SA63-1188 Screening compound: N~1~-{2-[9-(5-chloro-2-fluorobenzoyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]ethyl}-1-cyclopropanecarboxamide

SA63-1188 Screening compound: N~1~-{2-[9-(5-chloro-2-fluorobenzoyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]ethyl}-1-cyclopropanecarboxamide
SA63-1188 Screening compound: N~1~-{2-[9-(5-chloro-2-fluorobenzoyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]ethyl}-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA63-1188
N~1~-{2-[9-(5-chloro-2-fluorobenzoyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]ethyl}-1-cyclopropanecarboxamide

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

SA63-1188

Molecular Formula

C22H28ClFN2O3 (C22 H28 ClFN2 O3)

Compound Name

N~1~-{2-[9-(5-chloro-2-fluorobenzoyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]ethyl}-1-cyclopropanecarboxamide

IUPAC name

N-{2-[9-(5-chloro-2-fluorobenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethyl}cyclopropanecarboxamide

SMILES

O=C(C1CC1)NCCC1CC(CC2)(CCN2C(c(cc(cc2)Cl)c2F)=O)OCC1

InChI

InChI=1S/C22H28ClFN2O3/c23-17-3-4-19(24)18(13-17)21(28)26-10-7-22(8-11-26)14-15(6-12-29-22)5-9-25-20(27)16-1-2-16/h3-4,13,15-16H,1-2,5-12,14H2,(H,25,27)/t15-/m1/s1

InChI Key

LNVPOVWTLJTSQW-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32239014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.320

Distribution Coefficient, logD

3.320

Water Solubility, LogSw

-3.82

Polar Surface Area

48.267

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

References: we are preparing a list of scientific research reports with SA63-1188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA63-1188?
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What is the minimum amount of SA63-1188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA63-1188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA63-1188
  • 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 SA63-1188 available by request