8004-7613 Screening compound: 4-(4-chlorobenzoyl)-1-[2-(diethylamino)ethyl]-5-[4-(dimethylamino)phenyl]-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one

8004-7613 Screening compound: 4-(4-chlorobenzoyl)-1-[2-(diethylamino)ethyl]-5-[4-(dimethylamino)phenyl]-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
8004-7613 Screening compound: 4-(4-chlorobenzoyl)-1-[2-(diethylamino)ethyl]-5-[4-(dimethylamino)phenyl]-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7613
4-(4-chlorobenzoyl)-1-[2-(diethylamino)ethyl]-5-[4-(dimethylamino)phenyl]-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

8004-7613

Molecular Formula

C25H30ClN3O3 (C25 H30 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)CCN(C(C(C(c(cc1)ccc1Cl)=O)=C1O)c(cc2)ccc2N(C)C)C1=O

InChI

InChI=1S/C25H30ClN3O3/c1-5-28(6-2)15-16-29-22(17-9-13-20(14-10-17)27(3)4)21(24(31)25(29)32)23(30)18-7-11-19(26)12-8-18/h7-14,22,31H,5-6,15-16H2,1-4H3/t22-/m1/s1

InChI Key

ISQQVXZORYPPCJ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD00746513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.140

Distribution Coefficient, logD

3.034

Water Solubility, LogSw

-4.55

Polar Surface Area

51.293

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

8004-7613 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8004-7613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7613?
Check Price and Availability of 8004-7613, 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 8004-7613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7613
  • 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 8004-7613 available by request