8008-2744 Screening compound: 2-amino-4-(5-bromothiophen-2-yl)-1-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8008-2744 Screening compound: 2-amino-4-(5-bromothiophen-2-yl)-1-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8008-2744 Screening compound: 2-amino-4-(5-bromothiophen-2-yl)-1-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2744
2-amino-4-(5-bromothiophen-2-yl)-1-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-5-oxo-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

8008-2744

Molecular Formula

C24H21BrN4OS2 (C24 H21 BrN4 OS2)

Compound Name

2-amino-4-(5-bromothiophen-2-yl)-1-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-4-(5-bromothiophen-2-yl)-1-{3-cyano-4H5H6H7H8H-cyclohepta[b]thiophen-2-yl}-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

NC(N(c(sc1c2CCCCC1)c2C#N)C(CCC1)=C(C2c(s3)ccc3Br)C1=O)=C2C#N

InChI

InChI=1S/C24H21BrN4OS2/c25-20-10-9-19(31-20)21-15(12-27)23(28)29(16-6-4-7-17(30)22(16)21)24-14(11-26)13-5-2-1-3-8-18(13)32-24/h9-10,21H,1-8,28H2/t21-/m0/s1

InChI Key

GHUWWKYYXATYCB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01239847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.181

Distribution Coefficient, logD

5.181

Water Solubility, LogSw

-5.26

Polar Surface Area

71.772

Acid Dissociation Constant (pKa)

17.19

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

8008-2744 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8008-2744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2744?
Check Price and Availability of 8008-2744, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8008-2744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2744
  • 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 8008-2744 available by request