8009-9066 Screening compound: 4-[2-amino-4-(5-bromothiophen-2-yl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-1-yl]benzene-1-sulfonamide

8009-9066 Screening compound: 4-[2-amino-4-(5-bromothiophen-2-yl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-1-yl]benzene-1-sulfonamide
8009-9066 Screening compound: 4-[2-amino-4-(5-bromothiophen-2-yl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-1-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9066
4-[2-amino-4-(5-bromothiophen-2-yl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-1-yl]benzene-1-sulfonamide

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

8009-9066

Molecular Formula

C22H21BrN4O3S2 (C22 H21 BrN4 O3 S2)

Compound Name

4-[2-amino-4-(5-bromothiophen-2-yl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-1-yl]benzene-1-sulfonamide

IUPAC name

4-[2-amino-4-(5-bromothiophen-2-yl)-3-cyano-77-dimethyl-5-oxo-145678-hexahydroquinolin-1-yl]benzene-1-sulfonamide

SMILES

CC(C)(C1)CC(N(c(cc2)ccc2S(N)(=O)=O)C(N)=C(C2c(s3)ccc3Br)C#N)=C2C1=O

InChI

InChI=1S/C22H21BrN4O3S2/c1-22(2)9-15-20(16(28)10-22)19(17-7-8-18(23)31-17)14(11-24)21(25)27(15)12-3-5-13(6-4-12)32(26,29)30/h3-8,19H,9-10,25H2,1-2H3,(H2,26,29,30)/t19-/m0/s1

InChI Key

LLBNLMLYADLRNA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01821046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.724

Distribution Coefficient, logD

2.723

Water Solubility, LogSw

-3.24

Polar Surface Area

103.998

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8009-9066 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8009-9066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9066?
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What is the minimum amount of 8009-9066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9066
  • 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 8009-9066 available by request