SC76-0620 Screening compound: 2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-tetrahydro-2H-pyran-4-ylacetamide

SC76-0620 Screening compound: 2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-tetrahydro-2H-pyran-4-ylacetamide
SC76-0620 Screening compound: 2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-tetrahydro-2H-pyran-4-ylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC76-0620
2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-tetrahydro-2H-pyran-4-ylacetamide

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

SC76-0620

Molecular Formula

C24H25FN2O4 (C24 H25 FN2 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C([C@]1(COc(cc2)ccc2F)[C@H]2C1)=O)c1c2cccc1)NC1CCOCC1

InChI

InChI=1S/C24H25FN2O4/c25-16-5-7-18(8-6-16)31-15-24-13-20(24)19-3-1-2-4-21(19)27(23(24)29)14-22(28)26-17-9-11-30-12-10-17/h1-8,17,20H,9-15H2,(H,26,28)/t20-,24-/m1/s1

InChI Key

BSVUGZDLRVLIEE-HYBUGGRVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.781

Distribution Coefficient, logD

2.781

Water Solubility, LogSw

-3.17

Polar Surface Area

54.926

Acid Dissociation Constant (pKa)

16.13

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.67

SC76-0620 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC76-0620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC76-0620?
Check Price and Availability of SC76-0620, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SC76-0620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC76-0620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC76-0620
  • 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 SC76-0620 available by request