3716-0424 Screening compound: 2-methyl-N-(5-methylpyridin-2-yl)-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

3716-0424 Screening compound: 2-methyl-N-(5-methylpyridin-2-yl)-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
3716-0424 Screening compound: 2-methyl-N-(5-methylpyridin-2-yl)-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3716-0424
2-methyl-N-(5-methylpyridin-2-yl)-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-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

3716-0424

Molecular Formula

C29H27N3O3 (C29 H27 N3 O3)

Compound Name

2-methyl-N-(5-methylpyridin-2-yl)-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

2-methyl-N-(5-methylpyridin-2-yl)-5-oxo-4-(3-phenoxyphenyl)-145678-hexahydroquinoline-3-carboxamide

SMILES

Cc(cc1)cnc1NC(C(C1c2cc(Oc3ccccc3)ccc2)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C29H27N3O3/c1-18-14-15-25(30-17-18)32-29(34)26-19(2)31-23-12-7-13-24(33)28(23)27(26)20-8-6-11-22(16-20)35-21-9-4-3-5-10-21/h3-6,8-11,14-17,27,31H,7,12-13H2,1-2H3,(H,30,32,34)/t27-/m0/s1

InChI Key

RXYHNQSTRPUBKZ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02952933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.589

Distribution Coefficient, logD

3.944

Water Solubility, LogSw

-5.20

Polar Surface Area

63.465

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

3716-0424 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3716-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3716-0424?
Check Price and Availability of 3716-0424, 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 3716-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3716-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3716-0424
  • 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 3716-0424 available by request