3584-1645 Screening compound: 2-chloro-4-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}-6-methoxyphenyl 4-methylbenzene-1-sulfonate

3584-1645 Screening compound: 2-chloro-4-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}-6-methoxyphenyl 4-methylbenzene-1-sulfonate
3584-1645 Screening compound: 2-chloro-4-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}-6-methoxyphenyl 4-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-1645
2-chloro-4-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}-6-methoxyphenyl 4-methylbenzene-1-sulfonate

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

3584-1645

Molecular Formula

C24H19ClN2O6S (C24 H19 ClN2 O6 S)

Compound Name

2-chloro-4-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}-6-methoxyphenyl 4-methylbenzene-1-sulfonate

IUPAC name

2-chloro-4-{[(4E)-35-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}-6-methoxyphenyl 4-methylbenzene-1-sulfonate

SMILES

Cc(cc1)ccc1S(Oc(c(OC)cc(/C=C(\C(NN1c2ccccc2)=O)/C1=O)c1)c1Cl)(=O)=O

InChI

InChI=1S/C24H19ClN2O6S/c1-15-8-10-18(11-9-15)34(30,31)33-22-20(25)13-16(14-21(22)32-2)12-19-23(28)26-27(24(19)29)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,26,28)

InChI Key

JPCKPSBXDYZWCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05975621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

4.263

Water Solubility, LogSw

-4.66

Polar Surface Area

86.325

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

3584-1645 in Drug Discovery

Included in Screening Libraries

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 3584-1645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-1645?
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What is the minimum amount of 3584-1645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-1645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-1645
  • 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 3584-1645 available by request