3716-0254 Screening compound: N-(5-bromopyridin-2-yl)-4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

3716-0254 Screening compound: N-(5-bromopyridin-2-yl)-4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
3716-0254 Screening compound: N-(5-bromopyridin-2-yl)-4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3716-0254
N-(5-bromopyridin-2-yl)-4-(4-methoxyphenyl)-2-methyl-5-oxo-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

3716-0254

Molecular Formula

C23H22BrN3O3 (C23 H22 BrN3 O3)

Compound Name

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

IUPAC name

N-(5-bromopyridin-2-yl)-4-(4-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(NC(CCC1)=C(C2c(cc3)ccc3OC)C1=O)=C2C(Nc(cc1)ncc1Br)=O

InChI

InChI=1S/C23H22BrN3O3/c1-13-20(23(29)27-19-11-8-15(24)12-25-19)21(14-6-9-16(30-2)10-7-14)22-17(26-13)4-3-5-18(22)28/h6-12,21,26H,3-5H2,1-2H3,(H,25,27,29)/t21-/m0/s1

InChI Key

JGRADBKLDJNITL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02637287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.377

Distribution Coefficient, logD

2.733

Water Solubility, LogSw

-4.35

Polar Surface Area

64.261

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

3716-0254 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3716-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3716-0254?
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What is the minimum amount of 3716-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3716-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3716-0254
  • 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 3716-0254 available by request