5620-1204 Screening compound: methyl 3-(3-{[(4E)-1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate

5620-1204 Screening compound: methyl 3-(3-{[(4E)-1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
5620-1204 Screening compound: methyl 3-(3-{[(4E)-1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5620-1204
methyl 3-(3-{[(4E)-1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-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

5620-1204

Molecular Formula

C25H22FN3O4 (C25 H22 FN3 O4)

Compound Name

methyl 3-(3-{[(4E)-1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate

IUPAC name

methyl 3-(3-{[(4E)-1-[(4-fluorophenyl)methyl]-25-dioxoimidazolidin-4-ylidene]methyl}-25-dimethyl-1H-pyrrol-1-yl)benzoate

SMILES

Cc1cc(/C=C(\C(N2Cc(cc3)ccc3F)=O)/NC2=O)c(C)n1-c1cc(C(OC)=O)ccc1

InChI

InChI=1S/C25H22FN3O4/c1-15-11-19(16(2)29(15)21-6-4-5-18(12-21)24(31)33-3)13-22-23(30)28(25(32)27-22)14-17-7-9-20(26)10-8-17/h4-13H,14H2,1-3H3,(H,27,32)

InChI Key

AAKHPVAZKAHYMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03272468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

4.255

Water Solubility, LogSw

-4.42

Polar Surface Area

64.509

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

5620-1204 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 5620-1204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5620-1204?
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What is the minimum amount of 5620-1204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5620-1204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5620-1204
  • 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 5620-1204 available by request