3572-6040 Screening compound: 4-benzoyl-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-nitrophenyl)-2,5-dihydro-1H-pyrrol-2-one

3572-6040 Screening compound: 4-benzoyl-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-nitrophenyl)-2,5-dihydro-1H-pyrrol-2-one
3572-6040 Screening compound: 4-benzoyl-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-nitrophenyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3572-6040
4-benzoyl-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-nitrophenyl)-2,5-dihydro-1H-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

3572-6040

Molecular Formula

C21H21N3O5 (C21 H21 N3 O5)

Compound Name

4-benzoyl-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-nitrophenyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-benzoyl-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-nitrophenyl)-25-dihydro-1H-pyrrol-2-one

SMILES

CN(C)CCN(C(C(C(c1ccccc1)=O)=C1O)c(cc2)ccc2[N+]([O-])=O)C1=O

InChI

InChI=1S/C21H21N3O5/c1-22(2)12-13-23-18(14-8-10-16(11-9-14)24(28)29)17(20(26)21(23)27)19(25)15-6-4-3-5-7-15/h3-11,18,26H,12-13H2,1-2H3/t18-/m1/s1

InChI Key

ZBDVBFIPGYHCMX-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02048189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.468

Distribution Coefficient, logD

1.636

Water Solubility, LogSw

-2.60

Polar Surface Area

82.324

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

3572-6040 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 3572-6040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3572-6040?
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What is the minimum amount of 3572-6040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3572-6040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3572-6040
  • 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 3572-6040 available by request