SC76-0640 Screening compound: 2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-ethyl-N~1~-isopropylacetamide

SC76-0640 Screening compound: 2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-ethyl-N~1~-isopropylacetamide
SC76-0640 Screening compound: 2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-ethyl-N~1~-isopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC76-0640
2-{(1aS,7bS)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N~1~-ethyl-N~1~-isopropylacetamide

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

SC76-0640

Molecular Formula

C24H27FN2O3 (C24 H27 FN2 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~-ethyl-N~1~-isopropylacetamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H27FN2O3/c1-4-26(16(2)3)22(28)14-27-21-8-6-5-7-19(21)20-13-24(20,23(27)29)15-30-18-11-9-17(25)10-12-18/h5-12,16,20H,4,13-15H2,1-3H3/t20-,24-/m1/s1

InChI Key

NPHGWOHJZOFMFV-HYBUGGRVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.749

Distribution Coefficient, logD

3.749

Water Solubility, LogSw

-3.93

Polar Surface Area

38.516

Acid Dissociation Constant (pKa)

17.40

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.67

SC76-0640 in Drug Discovery

Included in Screening Libraries

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 SC76-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC76-0640?
Check Price and Availability of SC76-0640, 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 SC76-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC76-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC76-0640
  • 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 SC76-0640 available by request