SC76-0035 Screening compound: 2-[(1aS,7bS)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N~1~-[2-(ethylanilino)ethyl]acetamide

SC76-0035 Screening compound: 2-[(1aS,7bS)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N~1~-[2-(ethylanilino)ethyl]acetamide
SC76-0035 Screening compound: 2-[(1aS,7bS)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N~1~-[2-(ethylanilino)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC76-0035
2-[(1aS,7bS)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N~1~-[2-(ethylanilino)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

SC76-0035

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCNC(CN(C([C@]1(CO)[C@H]2C1)=O)c1c2cccc1)=O)c1ccccc1

InChI

InChI=1S/C23H27N3O3/c1-2-25(17-8-4-3-5-9-17)13-12-24-21(28)15-26-20-11-7-6-10-18(20)19-14-23(19,16-27)22(26)29/h3-11,19,27H,2,12-16H2,1H3,(H,24,28)/t19-,23+/m0/s1

InChI Key

NQKQEHQKTNDQOM-WMZHIEFXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.008

Distribution Coefficient, logD

2.003

Water Solubility, LogSw

-2.42

Polar Surface Area

60.011

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.13

SC76-0035 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with SC76-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC76-0035?
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What is the minimum amount of SC76-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC76-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC76-0035
  • 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 SC76-0035 available by request