L036-0112 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-propanamidophenyl)quinoline-4-carboxamide

L036-0112 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-propanamidophenyl)quinoline-4-carboxamide
L036-0112 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-propanamidophenyl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L036-0112
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-propanamidophenyl)quinoline-4-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

L036-0112

Molecular Formula

C27H29N3O2 (C27 H29 N3 O2)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-propanamidophenyl)quinoline-4-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-propanamidophenyl)quinoline-4-carboxamide

SMILES

CCC(Nc(cc1)ccc1-c1nc2ccccc2c(C(NCCC2=CCCCC2)=O)c1)=O

InChI

InChI=1S/C27H29N3O2/c1-2-26(31)29-21-14-12-20(13-15-21)25-18-23(22-10-6-7-11-24(22)30-25)27(32)28-17-16-19-8-4-3-5-9-19/h6-8,10-15,18H,2-5,9,16-17H2,1H3,(H,28,32)(H,29,31)

InChI Key

SSOYCWPFHLQOQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15116564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.532

Distribution Coefficient, logD

5.532

Water Solubility, LogSw

-5.57

Polar Surface Area

55.894

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

L036-0112 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with L036-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L036-0112?
Check Price and Availability of L036-0112, 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 L036-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L036-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L036-0112
  • 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 L036-0112 available by request