8020-7904 Screening compound: 1-[4-({[amino(imino)methyl]amino}sulfonyl)phenyl]-3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole

8020-7904 Screening compound: 1-[4-({[amino(imino)methyl]amino}sulfonyl)phenyl]-3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole
8020-7904 Screening compound: 1-[4-({[amino(imino)methyl]amino}sulfonyl)phenyl]-3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-7904
1-[4-({[amino(imino)methyl]amino}sulfonyl)phenyl]-3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole

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

8020-7904

Molecular Formula

C24H18ClFN4O5S (C24 H18 ClFN4 O5 S)

Compound Name

1-[4-({[amino(imino)methyl]amino}sulfonyl)phenyl]-3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole

IUPAC name

N-{4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-25-dihydro-1H-pyrrol-1-yl]benzenesulfonyl}guanidine

SMILES

NC(NS(c(cc1)ccc1N(C(C(C(c(cc1)ccc1Cl)=O)=C1O)c(cccc2)c2F)C1=O)(=O)=O)=N

InChI

InChI=1S/C24H18ClFN4O5S/c25-14-7-5-13(6-8-14)21(31)19-20(17-3-1-2-4-18(17)26)30(23(33)22(19)32)15-9-11-16(12-10-15)36(34,35)29-24(27)28/h1-12,20,32H,(H4,27,28,29)/t20-/m1/s1

InChI Key

MMUPNFDLRJKKHE-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD30711424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.95

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.536

Distribution Coefficient, logD

2.536

Water Solubility, LogSw

-3.40

Polar Surface Area

124.789

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.17

8020-7904 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8020-7904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-7904?
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What is the minimum amount of 8020-7904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-7904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-7904
  • 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 8020-7904 available by request