SC96-0670 Screening compound: N~10~-benzyl-6-(4-fluorobenzyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide

SC96-0670 Screening compound: N~10~-benzyl-6-(4-fluorobenzyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
SC96-0670 Screening compound: N~10~-benzyl-6-(4-fluorobenzyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC96-0670
N~10~-benzyl-6-(4-fluorobenzyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide

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

SC96-0670

Molecular Formula

C23H26FN3O3 (C23 H26 FN3 O3)

Compound Name

N~10~-benzyl-6-(4-fluorobenzyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide

IUPAC name

N-benzyl-6-[(4-fluorophenyl)methyl]-7-oxo-2-oxa-610-diazaspiro[4.6]undecane-10-carboxamide

SMILES

O=C(NCc1ccccc1)N(CC1)CC2(COCC2)N(Cc(cc2)ccc2F)C1=O

InChI

InChI=1S/C23H26FN3O3/c24-20-8-6-19(7-9-20)15-27-21(28)10-12-26(16-23(27)11-13-30-17-23)22(29)25-14-18-4-2-1-3-5-18/h1-9H,10-17H2,(H,25,29)/t23-/m1/s1

InChI Key

HLXBZWKVMWVVBC-HSZRJFAPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.558

Distribution Coefficient, logD

2.558

Water Solubility, LogSw

-2.68

Polar Surface Area

51.992

Acid Dissociation Constant (pKa)

14.42

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

SC96-0670 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC96-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC96-0670?
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What is the minimum amount of SC96-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC96-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC96-0670
  • 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 SC96-0670 available by request