C519-2102 Screening compound: 1-ethyl-N-{2-[ethyl(phenyl)amino]ethyl}-4-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-1,4-dihydroquinoline-3-carboxamide

C519-2102 Screening compound: 1-ethyl-N-{2-[ethyl(phenyl)amino]ethyl}-4-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-1,4-dihydroquinoline-3-carboxamide
C519-2102 Screening compound: 1-ethyl-N-{2-[ethyl(phenyl)amino]ethyl}-4-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C519-2102
1-ethyl-N-{2-[ethyl(phenyl)amino]ethyl}-4-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-1,4-dihydroquinoline-3-carboxamide

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

C519-2102

Molecular Formula

C31H34N4O4S (C31 H34 N4 O4 S)

Compound Name

1-ethyl-N-{2-[ethyl(phenyl)amino]ethyl}-4-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-1,4-dihydroquinoline-3-carboxamide

IUPAC name

1-ethyl-N-{2-[ethyl(phenyl)amino]ethyl}-4-oxo-6-(1234-tetrahydroisoquinoline-2-sulfonyl)-14-dihydroquinoline-3-carboxamide

SMILES

CCN(CCNC(C1=CN(CC)c(ccc(S(N(CC2)Cc3c2cccc3)(=O)=O)c2)c2C1=O)=O)c1ccccc1

InChI

InChI=1S/C31H34N4O4S/c1-3-33(25-12-6-5-7-13-25)19-17-32-31(37)28-22-34(4-2)29-15-14-26(20-27(29)30(28)36)40(38,39)35-18-16-23-10-8-9-11-24(23)21-35/h5-15,20,22H,3-4,16-19,21H2,1-2H3,(H,32,37)

InChI Key

SMARXLXRXUSQQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.323

Distribution Coefficient, logD

4.322

Water Solubility, LogSw

-4.17

Polar Surface Area

74.176

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

C519-2102 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C519-2102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-2102?
Check Price and Availability of C519-2102, 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 C519-2102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-2102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-2102
  • 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 C519-2102 available by request