8007-7745 Screening compound: ethyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

8007-7745 Screening compound: ethyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
8007-7745 Screening compound: ethyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-7745
ethyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

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

8007-7745

Molecular Formula

C25H25N3O7S (C25 H25 N3 O7 S)

Compound Name

ethyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

ethyl 2-amino-4-(2H-13-benzodioxol-5-yl)-5-oxo-1-(4-sulfamoylphenyl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOC(C(C(c(cc1)cc2c1OCO2)C1=C2CCCC1=O)=C(N)N2c(cc1)ccc1S(N)(=O)=O)=O

InChI

InChI=1S/C25H25N3O7S/c1-2-33-25(30)23-21(14-6-11-19-20(12-14)35-13-34-19)22-17(4-3-5-18(22)29)28(24(23)26)15-7-9-16(10-8-15)36(27,31)32/h6-12,21H,2-5,13,26H2,1H3,(H2,27,31,32)/t21-/m0/s1

InChI Key

GKFYXMWHRZJLHT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01239553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.910

Distribution Coefficient, logD

1.909

Water Solubility, LogSw

-2.84

Polar Surface Area

123.793

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

8007-7745 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8007-7745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-7745?
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What is the minimum amount of 8007-7745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-7745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-7745
  • 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 8007-7745 available by request