8008-0940 Screening compound: methyl 2-amino-1-[4-(aminosulfonyl)phenyl]-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

8008-0940 Screening compound: methyl 2-amino-1-[4-(aminosulfonyl)phenyl]-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
8008-0940 Screening compound: methyl 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 8008-0940
methyl 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

8008-0940

Molecular Formula

C23H23N3O5S (C23 H23 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H23N3O5S/c1-31-23(28)21-19(14-6-3-2-4-7-14)20-17(8-5-9-18(20)27)26(22(21)24)15-10-12-16(13-11-15)32(25,29)30/h2-4,6-7,10-13,19H,5,8-9,24H2,1H3,(H2,25,29,30)/t19-/m0/s1

InChI Key

KCPLWHARIHXQQW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01305803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.521

Distribution Coefficient, logD

1.520

Water Solubility, LogSw

-2.17

Polar Surface Area

107.098

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.74

8008-0940 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 8008-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-0940?
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What is the minimum amount of 8008-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-0940
  • 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 8008-0940 available by request