4306-1052 Screening compound: N-(5-bromopyridin-2-yl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

4306-1052 Screening compound: N-(5-bromopyridin-2-yl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4306-1052 Screening compound: N-(5-bromopyridin-2-yl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4306-1052
N-(5-bromopyridin-2-yl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-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

4306-1052

Molecular Formula

C24H26BrN3O2S2 (C24 H26 BrN3 O2 S2)

Compound Name

N-(5-bromopyridin-2-yl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

N-(5-bromopyridin-2-yl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

CCc1cc(C2C(C(CCC3)=O)=C3NC(C)=C2C(Nc(cc2)ncc2Br)=O)c(SCC)s1

InChI

InChI=1S/C24H26BrN3O2S2/c1-4-15-11-16(24(32-15)31-5-2)21-20(23(30)28-19-10-9-14(25)12-26-19)13(3)27-17-7-6-8-18(29)22(17)21/h9-12,21,27H,4-8H2,1-3H3,(H,26,28,30)/t21-/m0/s1

InChI Key

CYQMBEUCQWAYDA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03933880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.468

Distribution Coefficient, logD

4.784

Water Solubility, LogSw

-5.38

Polar Surface Area

57.735

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

4306-1052 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 4306-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4306-1052?
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What is the minimum amount of 4306-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4306-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4306-1052
  • 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 4306-1052 available by request