C519-2107 Screening compound: N-[3-(cyclohexylsulfanyl)propyl]-1-ethyl-4-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-1,4-dihydroquinoline-3-carboxamide

C519-2107 Screening compound: N-[3-(cyclohexylsulfanyl)propyl]-1-ethyl-4-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-1,4-dihydroquinoline-3-carboxamide
C519-2107 Screening compound: N-[3-(cyclohexylsulfanyl)propyl]-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 C519-2107
N-[3-(cyclohexylsulfanyl)propyl]-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

C519-2107

Molecular Formula

C30H37N3O4S2 (C30 H37 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(C=C1C(NCCCSC2CCCCC2)=O)c(ccc(S(N(CC2)Cc3c2cccc3)(=O)=O)c2)c2C1=O

InChI

InChI=1S/C30H37N3O4S2/c1-2-32-21-27(30(35)31-16-8-18-38-24-11-4-3-5-12-24)29(34)26-19-25(13-14-28(26)32)39(36,37)33-17-15-22-9-6-7-10-23(22)20-33/h6-7,9-10,13-14,19,21,24H,2-5,8,11-12,15-18,20H2,1H3,(H,31,35)

InChI Key

DQLOFVWBIYSVQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.77

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.943

Distribution Coefficient, logD

4.943

Water Solubility, LogSw

-4.45

Polar Surface Area

71.379

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

C519-2107 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C519-2107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-2107?
Check Price and Availability of C519-2107, 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 C519-2107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-2107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-2107
  • 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 C519-2107 available by request