SC76-0567 Screening compound: 2-[(1aS,7bS)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N~1~-(2-methoxyethyl)-N~1~-methylacetamide

SC76-0567 Screening compound: 2-[(1aS,7bS)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N~1~-(2-methoxyethyl)-N~1~-methylacetamide
SC76-0567 Screening compound: 2-[(1aS,7bS)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N~1~-(2-methoxyethyl)-N~1~-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC76-0567
2-[(1aS,7bS)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N~1~-(2-methoxyethyl)-N~1~-methylacetamide

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

SC76-0567

Molecular Formula

C23H26N2O4 (C23 H26 N2 O4)

Compound Name

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

IUPAC name

2-[(1aS7bS)-2-oxo-1a-(phenoxymethyl)-1H1aH2H3H7bH-cyclopropa[c]quinolin-3-yl]-N-(2-methoxyethyl)-N-methylacetamide

SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-24(12-13-28-2)21(26)15-25-20-11-7-6-10-18(20)19-14-23(19,22(25)27)16-29-17-8-4-3-5-9-17/h3-11,19H,12-16H2,1-2H3/t19-,23+/m0/s1

InChI Key

BENDHHQZUULDON-WMZHIEFXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.352

Distribution Coefficient, logD

2.352

Water Solubility, LogSw

-2.67

Polar Surface Area

47.307

Acid Dissociation Constant (pKa)

17.40

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.13

SC76-0567 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 SC76-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC76-0567?
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What is the minimum amount of SC76-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC76-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC76-0567
  • 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 SC76-0567 available by request