4341-0531 Screening compound: 4-{4-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-oxo-2-(4-propoxyphenyl)-2,5-dihydro-1H-pyrrole-3-carbonyl}-N,N-dimethylbenzene-1-sulfonamide

4341-0531 Screening compound: 4-{4-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-oxo-2-(4-propoxyphenyl)-2,5-dihydro-1H-pyrrole-3-carbonyl}-N,N-dimethylbenzene-1-sulfonamide
4341-0531 Screening compound: 4-{4-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-oxo-2-(4-propoxyphenyl)-2,5-dihydro-1H-pyrrole-3-carbonyl}-N,N-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4341-0531
4-{4-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-oxo-2-(4-propoxyphenyl)-2,5-dihydro-1H-pyrrole-3-carbonyl}-N,N-dimethylbenzene-1-sulfonamide

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

4341-0531

Molecular Formula

C28H35N3O7S (C28 H35 N3 O7 S)

Compound Name

4-{4-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-oxo-2-(4-propoxyphenyl)-2,5-dihydro-1H-pyrrole-3-carbonyl}-N,N-dimethylbenzene-1-sulfonamide

IUPAC name

4-{4-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-oxo-2-(4-propoxyphenyl)-25-dihydro-1H-pyrrole-3-carbonyl}-NN-dimethylbenzene-1-sulfonamide

SMILES

CCCOc1ccc(C(C(C(c(cc2)ccc2S(N(C)C)(=O)=O)=O)=C2O)N(CCN3CCOCC3)C2=O)cc1

InChI

InChI=1S/C28H35N3O7S/c1-4-17-38-22-9-5-20(6-10-22)25-24(26(32)21-7-11-23(12-8-21)39(35,36)29(2)3)27(33)28(34)31(25)14-13-30-15-18-37-19-16-30/h5-12,25,33H,4,13-19H2,1-3H3/t25-/m1/s1

InChI Key

UHYIBMMWRLDXQE-RUZDIDTESA-N

MDL Number (MFCD)

MFCD03461737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.67

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.608

Distribution Coefficient, logD

2.593

Water Solubility, LogSw

-2.80

Polar Surface Area

97.778

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

4341-0531 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4341-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4341-0531?
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What is the minimum amount of 4341-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4341-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4341-0531
  • 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 4341-0531 available by request