4340-0229 Screening compound: 4-{4-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-oxo-2-(pyridin-3-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl}-N,N-dimethylbenzene-1-sulfonamide

4340-0229 Screening compound: 4-{4-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-oxo-2-(pyridin-3-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl}-N,N-dimethylbenzene-1-sulfonamide
4340-0229 Screening compound: 4-{4-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-oxo-2-(pyridin-3-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl}-N,N-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-0229
4-{4-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-oxo-2-(pyridin-3-yl)-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

4340-0229

Molecular Formula

C24H28N4O6S (C24 H28 N4 O6 S)

Compound Name

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

SMILES

CN(C)S(c(cc1)ccc1C(C(C(c1cnccc1)N(CCN1CCOCC1)C1=O)=C1O)=O)(=O)=O

InChI

InChI=1S/C24H28N4O6S/c1-26(2)35(32,33)19-7-5-17(6-8-19)22(29)20-21(18-4-3-9-25-16-18)28(24(31)23(20)30)11-10-27-12-14-34-15-13-27/h3-9,16,21,30H,10-15H2,1-2H3/t21-/m1/s1

InChI Key

BGHKQFYWAXVPTI-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD02987752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.58

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.485

Distribution Coefficient, logD

0.470

Water Solubility, LogSw

-1.84

Polar Surface Area

99.878

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

4340-0229 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4340-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-0229?
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What is the minimum amount of 4340-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-0229
  • 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 4340-0229 available by request