8017-2441 Screening compound: 1-(5-bromopyridin-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8017-2441 Screening compound: 1-(5-bromopyridin-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8017-2441 Screening compound: 1-(5-bromopyridin-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2441
1-(5-bromopyridin-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

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

8017-2441

Molecular Formula

C23H17BrN4OS (C23 H17 BrN4 OS)

Compound Name

1-(5-bromopyridin-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

1-(5-bromopyridin-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-145678-hexahydroquinoline-3-carbonitrile

SMILES

N#CC(C(c1cccs1)C1=C2CCCC1=O)=C(n1cccc1)N2c(cc1)ncc1Br

InChI

InChI=1S/C23H17BrN4OS/c24-15-8-9-20(26-14-15)28-17-5-3-6-18(29)22(17)21(19-7-4-12-30-19)16(13-25)23(28)27-10-1-2-11-27/h1-2,4,7-12,14,21H,3,5-6H2/t21-/m1/s1

InChI Key

KNGVSUDQTBEJQG-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD06015245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.857

Distribution Coefficient, logD

4.857

Water Solubility, LogSw

-4.75

Polar Surface Area

46.173

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

8017-2441 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-2441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2441?
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What is the minimum amount of 8017-2441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2441
  • 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 8017-2441 available by request