SC76-0805 Screening compound: 2-{(1aS,7bS)-1a-[(benzyloxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-{2-[cyclohexyl(methyl)amino]ethyl}acetamide

SC76-0805 Screening compound: 2-{(1aS,7bS)-1a-[(benzyloxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-{2-[cyclohexyl(methyl)amino]ethyl}acetamide
SC76-0805 Screening compound: 2-{(1aS,7bS)-1a-[(benzyloxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-{2-[cyclohexyl(methyl)amino]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC76-0805
2-{(1aS,7bS)-1a-[(benzyloxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-{2-[cyclohexyl(methyl)amino]ethyl}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

SC76-0805

Molecular Formula

C29H37N3O3 (C29 H37 N3 O3)

Compound Name

2-{(1aS,7bS)-1a-[(benzyloxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-{2-[cyclohexyl(methyl)amino]ethyl}acetamide

IUPAC name

2-[(1aS7bS)-1a-[(benzyloxy)methyl]-2-oxo-1H1aH2H3H7bH-cyclopropa[c]quinolin-3-yl]-N-{2-[cyclohexyl(methyl)amino]ethyl}acetamide

SMILES

CN(CCNC(CN(C([C@]1(COCc2ccccc2)[C@H]2C1)=O)c1c2cccc1)=O)C1CCCCC1

InChI

InChI=1S/C29H37N3O3/c1-31(23-12-6-3-7-13-23)17-16-30-27(33)19-32-26-15-9-8-14-24(26)25-18-29(25,28(32)34)21-35-20-22-10-4-2-5-11-22/h2,4-5,8-11,14-15,23,25H,3,6-7,12-13,16-21H2,1H3,(H,30,33)/t25-,29+/m0/s1

InChI Key

JRCOUGOSZRJZRE-ABYGYWHVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.708

Distribution Coefficient, logD

2.267

Water Solubility, LogSw

-3.78

Polar Surface Area

51.106

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.72

References: we are preparing a list of scientific research reports with SC76-0805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC76-0805?
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What is the minimum amount of SC76-0805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC76-0805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC76-0805
  • 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 SC76-0805 available by request