5408-1488 Screening compound: methyl 4-{8-[(4-methylphenyl)sulfamoyl]-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate

5408-1488 Screening compound: methyl 4-{8-[(4-methylphenyl)sulfamoyl]-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate
5408-1488 Screening compound: methyl 4-{8-[(4-methylphenyl)sulfamoyl]-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-1488
methyl 4-{8-[(4-methylphenyl)sulfamoyl]-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate

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

5408-1488

Molecular Formula

C27H26N2O4S (C27 H26 N2 O4 S)

Compound Name

methyl 4-{8-[(4-methylphenyl)sulfamoyl]-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate

IUPAC name

methyl 4-[(3aR4S9bS)-8-[(4-methylphenyl)sulfamoyl]-3H3aH4H5H9bH-cyclopenta[c]quinolin-4-yl]benzoate

SMILES

Cc(cc1)ccc1NS(c(cc1)cc([C@H]2C=CC[C@H]22)c1N[C@@H]2c(cc1)ccc1C(OC)=O)(=O)=O

InChI

InChI=1S/C27H26N2O4S/c1-17-6-12-20(13-7-17)29-34(31,32)21-14-15-25-24(16-21)22-4-3-5-23(22)26(28-25)18-8-10-19(11-9-18)27(30)33-2/h3-4,6-16,22-23,26,28-29H,5H2,1-2H3/t22-,23-,26-/m0/s1

InChI Key

JWRFBVMNCFWSHD-FXSPECFOSA-N

MDL Number (MFCD)

MFCD01965002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.080

Distribution Coefficient, logD

6.077

Water Solubility, LogSw

-5.50

Polar Surface Area

74.145

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

22.22

5408-1488 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5408-1488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-1488?
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What is the minimum amount of 5408-1488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-1488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-1488
  • 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 5408-1488 available by request