4424-1044 Screening compound: 5-(4-bromophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one

4424-1044 Screening compound: 5-(4-bromophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one
4424-1044 Screening compound: 5-(4-bromophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4424-1044
5-(4-bromophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-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

4424-1044

Molecular Formula

C27H31BrN2O4 (C27 H31 BrN2 O4)

Compound Name

5-(4-bromophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

5-(4-bromophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CCN(CC)CCN(C(C(C(c(cc1)c(C)cc1OCC=C)=O)=C1O)c(cc2)ccc2Br)C1=O

InChI

InChI=1S/C27H31BrN2O4/c1-5-16-34-21-12-13-22(18(4)17-21)25(31)23-24(19-8-10-20(28)11-9-19)30(27(33)26(23)32)15-14-29(6-2)7-3/h5,8-13,17,24,32H,1,6-7,14-16H2,2-4H3/t24-/m1/s1

InChI Key

QNNDGHMSXOXADG-XMMPIXPASA-N

MDL Number (MFCD)

MFCD05151752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.308

Distribution Coefficient, logD

4.202

Water Solubility, LogSw

-5.27

Polar Surface Area

55.906

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4424-1044 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4424-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-1044?
Check Price and Availability of 4424-1044, 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 4424-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-1044
  • 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 4424-1044 available by request