5646-1393 Screening compound: 2-methylpropyl 2-chloro-5-(5-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate

5646-1393 Screening compound: 2-methylpropyl 2-chloro-5-(5-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
5646-1393 Screening compound: 2-methylpropyl 2-chloro-5-(5-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5646-1393
2-methylpropyl 2-chloro-5-(5-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-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

5646-1393

Molecular Formula

C26H24ClN3O6S (C26 H24 ClN3 O6 S)

Compound Name

2-methylpropyl 2-chloro-5-(5-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

2-methylpropyl 2-chloro-5-(5-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-45-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate

SMILES

CC(C)COC(c(cc(cc1)-c2ccc(/C=C(/C(C)=NN3c(cc4)ccc4S(N)(=O)=O)\C3=O)o2)c1Cl)=O

InChI

InChI=1S/C26H24ClN3O6S/c1-15(2)14-35-26(32)22-12-17(4-10-23(22)27)24-11-7-19(36-24)13-21-16(3)29-30(25(21)31)18-5-8-20(9-6-18)37(28,33)34/h4-13,15H,14H2,1-3H3,(H2,28,33,34)

InChI Key

FSGWNLBOKPAYQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03785207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.01

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.992

Distribution Coefficient, logD

4.991

Water Solubility, LogSw

-5.02

Polar Surface Area

104.889

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-7.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

5646-1393 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 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 5646-1393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5646-1393?
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What is the minimum amount of 5646-1393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5646-1393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5646-1393
  • 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 5646-1393 available by request