4341-0575 Screening compound: 5-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[4-(morpholine-4-sulfonyl)benzoyl]-2,5-dihydro-1H-pyrrol-2-one

4341-0575 Screening compound: 5-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[4-(morpholine-4-sulfonyl)benzoyl]-2,5-dihydro-1H-pyrrol-2-one
4341-0575 Screening compound: 5-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[4-(morpholine-4-sulfonyl)benzoyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4341-0575
5-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[4-(morpholine-4-sulfonyl)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

4341-0575

Molecular Formula

C31H41N3O6S (C31 H41 N3 O6 S)

Compound Name

5-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[4-(morpholine-4-sulfonyl)benzoyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

5-(4-tert-butylphenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[4-(morpholine-4-sulfonyl)benzoyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CCN(CC)CCN(C(C(C(c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)=C1O)c2ccc(C(C)(C)C)cc2)C1=O

InChI

InChI=1S/C31H41N3O6S/c1-6-32(7-2)16-17-34-27(22-8-12-24(13-9-22)31(3,4)5)26(29(36)30(34)37)28(35)23-10-14-25(15-11-23)41(38,39)33-18-20-40-21-19-33/h8-15,27,36H,6-7,16-21H2,1-5H3/t27-/m1/s1

InChI Key

LRUHTFWZHXBJBX-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD03016839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.75

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.357

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.96

Polar Surface Area

88.107

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.40

4341-0575 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 4341-0575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4341-0575?
Check Price and Availability of 4341-0575, 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 4341-0575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4341-0575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4341-0575
  • 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 4341-0575 available by request