8005-5884 Screening compound: 4-(4-chlorobenzoyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(4-nitrophenyl)-2,5-dihydro-1H-pyrrol-2-one

8005-5884 Screening compound: 4-(4-chlorobenzoyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(4-nitrophenyl)-2,5-dihydro-1H-pyrrol-2-one
8005-5884 Screening compound: 4-(4-chlorobenzoyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(4-nitrophenyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5884
4-(4-chlorobenzoyl)-1-[2-(diethylamino)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

8005-5884

Molecular Formula

C23H24ClN3O5 (C23 H24 ClN3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)CCN(C(C(C(c(cc1)ccc1Cl)=O)=C1O)c(cc2)ccc2[N+]([O-])=O)C1=O

InChI

InChI=1S/C23H24ClN3O5/c1-3-25(4-2)13-14-26-20(15-7-11-18(12-8-15)27(31)32)19(22(29)23(26)30)21(28)16-5-9-17(24)10-6-16/h5-12,20,29H,3-4,13-14H2,1-2H3/t20-/m1/s1

InChI Key

MZWYYWZKXPQFLL-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD00820668

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

457.91

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.975

Distribution Coefficient, logD

2.869

Water Solubility, LogSw

-4.57

Polar Surface Area

81.869

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

8005-5884 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 8005-5884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5884?
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What is the minimum amount of 8005-5884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5884
  • 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 8005-5884 available by request