8010-4135 Screening compound: 4-acetyl-5-(2-chlorophenyl)-3-hydroxy-1-(2-piperazinoethyl)-1,5-dihydro-2H-pyrrol-2-one

8010-4135 Screening compound: 4-acetyl-5-(2-chlorophenyl)-3-hydroxy-1-(2-piperazinoethyl)-1,5-dihydro-2H-pyrrol-2-one
8010-4135 Screening compound: 4-acetyl-5-(2-chlorophenyl)-3-hydroxy-1-(2-piperazinoethyl)-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4135
4-acetyl-5-(2-chlorophenyl)-3-hydroxy-1-(2-piperazinoethyl)-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

8010-4135

Molecular Formula

C18H22ClN3O3 (C18 H22 ClN3 O3)

Compound Name

4-acetyl-5-(2-chlorophenyl)-3-hydroxy-1-(2-piperazinoethyl)-1,5-dihydro-2H-pyrrol-2-one

IUPAC name

4-acetyl-5-(2-chlorophenyl)-3-hydroxy-1-[2-(piperazin-1-yl)ethyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C(C(c(cccc1)c1Cl)N(CCN1CCNCC1)C1=O)=C1O)=O

InChI

InChI=1S/C18H22ClN3O3/c1-12(23)15-16(13-4-2-3-5-14(13)19)22(18(25)17(15)24)11-10-21-8-6-20-7-9-21/h2-5,16,20,24H,6-11H2,1H3/t16-/m1/s1

InChI Key

AKLDENQIGYRSPJ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD01872369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.979

Distribution Coefficient, logD

-0.473

Water Solubility, LogSw

-2.34

Polar Surface Area

61.108

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

8010-4135 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 8010-4135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4135?
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What is the minimum amount of 8010-4135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4135
  • 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 8010-4135 available by request