SC76-0630 Screening compound: 2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-[2-(1H-imidazol-1-yl)ethyl]acetamide

SC76-0630 Screening compound: 2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-[2-(1H-imidazol-1-yl)ethyl]acetamide
SC76-0630 Screening compound: 2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-[2-(1H-imidazol-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC76-0630
2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-[2-(1H-imidazol-1-yl)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

SC76-0630

Molecular Formula

C24H23FN4O3 (C24 H23 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C([C@]1(COc(cc2)ccc2F)[C@H]2C1)=O)c1c2cccc1)NCCn1cncc1

InChI

InChI=1S/C24H23FN4O3/c25-17-5-7-18(8-6-17)32-15-24-13-20(24)19-3-1-2-4-21(19)29(23(24)31)14-22(30)27-10-12-28-11-9-26-16-28/h1-9,11,16,20H,10,12-15H2,(H,27,30)/t20-,24-/m1/s1

InChI Key

IJMWKGRAQNEUDJ-HYBUGGRVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.923

Distribution Coefficient, logD

1.777

Water Solubility, LogSw

-2.34

Polar Surface Area

59.934

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.17

SC76-0630 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC76-0630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC76-0630?
Check Price and Availability of SC76-0630, 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 SC76-0630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC76-0630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC76-0630
  • 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 SC76-0630 available by request