8009-9059 Screening compound: ethyl 2-amino-1-[4-(aminosulfonyl)phenyl]-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

8009-9059 Screening compound: ethyl 2-amino-1-[4-(aminosulfonyl)phenyl]-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
8009-9059 Screening compound: ethyl 2-amino-1-[4-(aminosulfonyl)phenyl]-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9059
ethyl 2-amino-1-[4-(aminosulfonyl)phenyl]-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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

8009-9059

Molecular Formula

C24H25N3O5S (C24 H25 N3 O5 S)

Compound Name

ethyl 2-amino-1-[4-(aminosulfonyl)phenyl]-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

IUPAC name

ethyl 2-amino-5-oxo-4-phenyl-1-(4-sulfamoylphenyl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOC(C(C(c1ccccc1)C1=C2CCCC1=O)=C(N)N2c(cc1)ccc1S(N)(=O)=O)=O

InChI

InChI=1S/C24H25N3O5S/c1-2-32-24(29)22-20(15-7-4-3-5-8-15)21-18(9-6-10-19(21)28)27(23(22)25)16-11-13-17(14-12-16)33(26,30)31/h3-5,7-8,11-14,20H,2,6,9-10,25H2,1H3,(H2,26,30,31)/t20-/m0/s1

InChI Key

NERILMCXNQDQPJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01821039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.961

Distribution Coefficient, logD

1.960

Water Solubility, LogSw

-2.49

Polar Surface Area

106.677

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8009-9059 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-9059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9059?
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What is the minimum amount of 8009-9059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9059
  • 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 8009-9059 available by request