8019-0192 Screening compound: 4-benzoyl-3-hydroxy-1-{3-[(2-hydroxyethyl)amino]propyl}-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one

8019-0192 Screening compound: 4-benzoyl-3-hydroxy-1-{3-[(2-hydroxyethyl)amino]propyl}-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
8019-0192 Screening compound: 4-benzoyl-3-hydroxy-1-{3-[(2-hydroxyethyl)amino]propyl}-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0192
4-benzoyl-3-hydroxy-1-{3-[(2-hydroxyethyl)amino]propyl}-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one

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

8019-0192

Molecular Formula

C22H23N3O6 (C22 H23 N3 O6)

Compound Name

4-benzoyl-3-hydroxy-1-{3-[(2-hydroxyethyl)amino]propyl}-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one

IUPAC name

4-benzoyl-3-hydroxy-1-{3-[(2-hydroxyethyl)amino]propyl}-5-(3-nitrophenyl)-25-dihydro-1H-pyrrol-2-one

SMILES

[O-][N+](c1cc(C(C(C(c2ccccc2)=O)=C2O)N(CCCNCCO)C2=O)ccc1)=O

InChI

InChI=1S/C22H23N3O6/c26-13-11-23-10-5-12-24-19(16-8-4-9-17(14-16)25(30)31)18(21(28)22(24)29)20(27)15-6-2-1-3-7-15/h1-4,6-9,14,19,23,26,28H,5,10-13H2/t19-/m1/s1

InChI Key

KIEDCEYKYJTXKA-LJQANCHMSA-N

MDL Number (MFCD)

MFCD09063739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.008

Distribution Coefficient, logD

-1.034

Water Solubility, LogSw

-2.16

Polar Surface Area

106.834

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

8019-0192 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0192?
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What is the minimum amount of 8019-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0192
  • 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 8019-0192 available by request