SC76-0532 Screening compound: 2-[(1aS,7bS)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N~1~-(2-chlorobenzyl)acetamide

SC76-0532 Screening compound: 2-[(1aS,7bS)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N~1~-(2-chlorobenzyl)acetamide
SC76-0532 Screening compound: 2-[(1aS,7bS)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N~1~-(2-chlorobenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC76-0532
2-[(1aS,7bS)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N~1~-(2-chlorobenzyl)acetamide

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

SC76-0532

Molecular Formula

C26H23ClN2O3 (C26 H23 ClN2 O3)

Compound Name

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

IUPAC name

2-[(1aS7bS)-2-oxo-1a-(phenoxymethyl)-1H1aH2H3H7bH-cyclopropa[c]quinolin-3-yl]-N-[(2-chlorophenyl)methyl]acetamide

SMILES

O=C(CN(C([C@]1(COc2ccccc2)[C@H]2C1)=O)c1c2cccc1)NCc(cccc1)c1Cl

InChI

InChI=1S/C26H23ClN2O3/c27-22-12-6-4-8-18(22)15-28-24(30)16-29-23-13-7-5-11-20(23)21-14-26(21,25(29)31)17-32-19-9-2-1-3-10-19/h1-13,21H,14-17H2,(H,28,30)/t21-,26+/m0/s1

InChI Key

BVZOSUGJFWBWET-HFZDXXHNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.724

Distribution Coefficient, logD

4.724

Water Solubility, LogSw

-4.78

Polar Surface Area

47.292

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.08

References: we are preparing a list of scientific research reports with SC76-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC76-0532?
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What is the minimum amount of SC76-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC76-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC76-0532
  • 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 SC76-0532 available by request