8007-6713 Screening compound: 2-amino-1-(5-bromopyridin-2-yl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8007-6713 Screening compound: 2-amino-1-(5-bromopyridin-2-yl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8007-6713 Screening compound: 2-amino-1-(5-bromopyridin-2-yl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6713
2-amino-1-(5-bromopyridin-2-yl)-5-oxo-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

8007-6713

Molecular Formula

C19H15BrN4OS (C19 H15 BrN4 OS)

Compound Name

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

IUPAC name

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

SMILES

NC(N(C(CCC1)=C(C2c3cccs3)C1=O)c(cc1)ncc1Br)=C2C#N

InChI

InChI=1S/C19H15BrN4OS/c20-11-6-7-16(23-10-11)24-13-3-1-4-14(25)18(13)17(12(9-21)19(24)22)15-5-2-8-26-15/h2,5-8,10,17H,1,3-4,22H2/t17-/m1/s1

InChI Key

RAYUZNHBIJCVOR-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD01240322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.251

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.45

Polar Surface Area

61.996

Acid Dissociation Constant (pKa)

15.53

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

8007-6713 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 8007-6713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6713?
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What is the minimum amount of 8007-6713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6713
  • 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 8007-6713 available by request