4341-0589 Screening compound: 5-(furan-2-yl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-4-[4-(morpholine-4-sulfonyl)benzoyl]-2,5-dihydro-1H-pyrrol-2-one

4341-0589 Screening compound: 5-(furan-2-yl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-4-[4-(morpholine-4-sulfonyl)benzoyl]-2,5-dihydro-1H-pyrrol-2-one
4341-0589 Screening compound: 5-(furan-2-yl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-4-[4-(morpholine-4-sulfonyl)benzoyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4341-0589
5-(furan-2-yl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-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

4341-0589

Molecular Formula

C26H31N3O8S (C26 H31 N3 O8 S)

Compound Name

5-(furan-2-yl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-4-[4-(morpholine-4-sulfonyl)benzoyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

5-(furan-2-yl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-4-[4-(morpholine-4-sulfonyl)benzoyl]-25-dihydro-1H-pyrrol-2-one

SMILES

OC(C(N(CCCN1CCOCC1)C1c2ccco2)=O)=C1C(c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O

InChI

InChI=1S/C26H31N3O8S/c30-24(19-4-6-20(7-5-19)38(33,34)28-12-17-36-18-13-28)22-23(21-3-1-14-37-21)29(26(32)25(22)31)9-2-8-27-10-15-35-16-11-27/h1,3-7,14,23,31H,2,8-13,15-18H2/t23-/m0/s1

InChI Key

LJVFFRMUHVFXIK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03016846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.61

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.756

Distribution Coefficient, logD

0.582

Water Solubility, LogSw

-2.32

Polar Surface Area

104.894

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

4341-0589 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4341-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4341-0589?
Check Price and Availability of 4341-0589, 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 4341-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4341-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4341-0589
  • 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 4341-0589 available by request