4340-0099 Screening compound: 4-benzoyl-5-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one

4340-0099 Screening compound: 4-benzoyl-5-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
4340-0099 Screening compound: 4-benzoyl-5-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-0099
4-benzoyl-5-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-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

4340-0099

Molecular Formula

C22H23ClN2O3 (C22 H23 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(C)CCCN(C(C(C(c1ccccc1)=O)=C1O)c(cc2)ccc2Cl)C1=O

InChI

InChI=1S/C22H23ClN2O3/c1-24(2)13-6-14-25-19(15-9-11-17(23)12-10-15)18(21(27)22(25)28)20(26)16-7-4-3-5-8-16/h3-5,7-12,19,27H,6,13-14H2,1-2H3/t19-/m1/s1

InChI Key

PYVPESKBCMFLBU-LJQANCHMSA-N

MDL Number (MFCD)

MFCD02996449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.083

Distribution Coefficient, logD

1.135

Water Solubility, LogSw

-3.66

Polar Surface Area

48.942

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

4340-0099 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 4340-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-0099?
Check Price and Availability of 4340-0099, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4340-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-0099
  • 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 4340-0099 available by request