SC76-0590 Screening compound: 2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-cyclobutylacetamide

SC76-0590 Screening compound: 2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-cyclobutylacetamide
SC76-0590 Screening compound: 2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-cyclobutylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC76-0590
2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-cyclobutylacetamide

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

SC76-0590

Molecular Formula

C23H23FN2O3 (C23 H23 FN2 O3)

Compound Name

2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-cyclobutylacetamide

IUPAC name

2-[(1aS7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1H1aH2H3H7bH-cyclopropa[c]quinolin-3-yl]-N-cyclobutylacetamide

SMILES

O=C(CN(C([C@]1(COc(cc2)ccc2F)[C@H]2C1)=O)c1c2cccc1)NC1CCC1

InChI

InChI=1S/C23H23FN2O3/c24-15-8-10-17(11-9-15)29-14-23-12-19(23)18-6-1-2-7-20(18)26(22(23)28)13-21(27)25-16-4-3-5-16/h1-2,6-11,16,19H,3-5,12-14H2,(H,25,27)/t19-,23-/m1/s1

InChI Key

NWSHEHPUJSSHBJ-AUSIDOKSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

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

3.092

Distribution Coefficient, logD

3.092

Water Solubility, LogSw

-3.40

Polar Surface Area

47.348

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.13

SC76-0590 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC76-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC76-0590?
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What is the minimum amount of SC76-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC76-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC76-0590
  • 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 SC76-0590 available by request