C519-2042 Screening compound: N-[(2-chlorophenyl)methyl]-1-ethyl-4-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-1,4-dihydroquinoline-3-carboxamide

C519-2042 Screening compound: N-[(2-chlorophenyl)methyl]-1-ethyl-4-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-1,4-dihydroquinoline-3-carboxamide
C519-2042 Screening compound: N-[(2-chlorophenyl)methyl]-1-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 C519-2042
N-[(2-chlorophenyl)methyl]-1-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

C519-2042

Molecular Formula

C28H26ClN3O4S (C28 H26 ClN3 O4 S)

Compound Name

N-[(2-chlorophenyl)methyl]-1-ethyl-4-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-1,4-dihydroquinoline-3-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-1-ethyl-4-oxo-6-(1234-tetrahydroisoquinoline-2-sulfonyl)-14-dihydroquinoline-3-carboxamide

SMILES

CCN(C=C1C(NCc(cccc2)c2Cl)=O)c(ccc(S(N(CC2)Cc3c2cccc3)(=O)=O)c2)c2C1=O

InChI

InChI=1S/C28H26ClN3O4S/c1-2-31-18-24(28(34)30-16-20-8-5-6-10-25(20)29)27(33)23-15-22(11-12-26(23)31)37(35,36)32-14-13-19-7-3-4-9-21(19)17-32/h3-12,15,18H,2,13-14,16-17H2,1H3,(H,30,34)

InChI Key

OQTUXHAXKRRGLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.05

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.708

Distribution Coefficient, logD

4.708

Water Solubility, LogSw

-4.80

Polar Surface Area

71.345

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C519-2042 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C519-2042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-2042?
Check Price and Availability of C519-2042, 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 C519-2042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-2042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-2042
  • 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 C519-2042 available by request