8020-8219 Screening compound: N~1~-(diaminomethylene)-4-[3-(4-fluorobenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-benzenesulfonamide

8020-8219 Screening compound: N~1~-(diaminomethylene)-4-[3-(4-fluorobenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-benzenesulfonamide
8020-8219 Screening compound: N~1~-(diaminomethylene)-4-[3-(4-fluorobenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8219
N~1~-(diaminomethylene)-4-[3-(4-fluorobenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-benzenesulfonamide

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

8020-8219

Molecular Formula

C24H18F2N4O5S (C24 H18 F2 N4 O5 S)

Compound Name

N~1~-(diaminomethylene)-4-[3-(4-fluorobenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-benzenesulfonamide

IUPAC name

n/a

SMILES

NC(N)=NS(c(cc1)ccc1N(C(C(C(c(cc1)ccc1F)=O)=C1O)c2cc(F)ccc2)C1=O)(=O)=O

InChI

InChI=1S/C24H18F2N4O5S/c25-15-6-4-13(5-7-15)21(31)19-20(14-2-1-3-16(26)12-14)30(23(33)22(19)32)17-8-10-18(11-9-17)36(34,35)29-24(27)28/h1-12,20,32H,(H4,27,28,29)/t20-/m1/s1

InChI Key

DBBDGXISDORKIC-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.920

Distribution Coefficient, logD

1.918

Water Solubility, LogSw

-2.75

Polar Surface Area

124.765

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.20

References: we are preparing a list of scientific research reports with 8020-8219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8219?
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What is the minimum amount of 8020-8219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8219
  • 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 8020-8219 available by request