8017-1863 Screening compound: 1-(5-bromopyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8017-1863 Screening compound: 1-(5-bromopyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8017-1863 Screening compound: 1-(5-bromopyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1863
1-(5-bromopyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-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

8017-1863

Molecular Formula

C24H19BrN4OS (C24 H19 BrN4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(C2=C3CCCC2=O)C(C#N)=C(n2cccc2)N3c(cc2)ncc2Br)scc1

InChI

InChI=1S/C24H19BrN4OS/c1-15-9-12-31-23(15)21-17(13-26)24(28-10-2-3-11-28)29(20-8-7-16(25)14-27-20)18-5-4-6-19(30)22(18)21/h2-3,7-12,14,21H,4-6H2,1H3/t21-/m0/s1

InChI Key

NSEUOADJHSHHLT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06014764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.41

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

5.426

Distribution Coefficient, logD

5.426

Water Solubility, LogSw

-5.14

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

20.80

8017-1863 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

C-Met Library (15277 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-1863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1863?
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What is the minimum amount of 8017-1863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1863
  • 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 8017-1863 available by request