SC76-0579 Screening compound: 2-[(1aS,7bS)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N~1~,N~1~-dimethylacetamide

SC76-0579 Screening compound: 2-[(1aS,7bS)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N~1~,N~1~-dimethylacetamide
SC76-0579 Screening compound: 2-[(1aS,7bS)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N~1~,N~1~-dimethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC76-0579
2-[(1aS,7bS)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N~1~,N~1~-dimethylacetamide

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

SC76-0579

Molecular Formula

C21H22N2O3 (C21 H22 N2 O3)

Compound Name

2-[(1aS,7bS)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N~1~,N~1~-dimethylacetamide

IUPAC name

2-[(1aS7bS)-2-oxo-1a-(phenoxymethyl)-1H1aH2H3H7bH-cyclopropa[c]quinolin-3-yl]-NN-dimethylacetamide

SMILES

CN(C)C(CN(C([C@]1(COc2ccccc2)[C@H]2C1)=O)c1c2cccc1)=O

InChI

InChI=1S/C21H22N2O3/c1-22(2)19(24)13-23-18-11-7-6-10-16(18)17-12-21(17,20(23)25)14-26-15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3/t17-,21+/m0/s1

InChI Key

DJFVUCLACFDUCJ-LAUBAEHRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.140

Distribution Coefficient, logD

2.140

Water Solubility, LogSw

-2.61

Polar Surface Area

38.565

Acid Dissociation Constant (pKa)

17.40

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

SC76-0579 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 SC76-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC76-0579?
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What is the minimum amount of SC76-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC76-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC76-0579
  • 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 SC76-0579 available by request