E959-1291 Screening compound: N-(5-chloro-2-methylphenyl)-1-{[5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophen-2-yl]sulfonyl}pyrrolidine-2-carboxamide

E959-1291 Screening compound: N-(5-chloro-2-methylphenyl)-1-{[5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophen-2-yl]sulfonyl}pyrrolidine-2-carboxamide
E959-1291 Screening compound: N-(5-chloro-2-methylphenyl)-1-{[5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophen-2-yl]sulfonyl}pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E959-1291
N-(5-chloro-2-methylphenyl)-1-{[5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophen-2-yl]sulfonyl}pyrrolidine-2-carboxamide

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

E959-1291

Molecular Formula

C20H19ClN4O4S2 (C20 H19 ClN4 O4 S2)

Compound Name

N-(5-chloro-2-methylphenyl)-1-{[5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophen-2-yl]sulfonyl}pyrrolidine-2-carboxamide

IUPAC name

N-(5-chloro-2-methylphenyl)-1-{[5-(6-oxo-16-dihydropyridazin-3-yl)thiophen-2-yl]sulfonyl}pyrrolidine-2-carboxamide

SMILES

Cc(ccc(Cl)c1)c1NC(C(CCC1)N1S(c1ccc(C(C=C2)=NNC2=O)s1)(=O)=O)=O

InChI

InChI=1S/C20H19ClN4O4S2/c1-12-4-5-13(21)11-15(12)22-20(27)16-3-2-10-25(16)31(28,29)19-9-7-17(30-19)14-6-8-18(26)24-23-14/h4-9,11,16H,2-3,10H2,1H3,(H,22,27)(H,24,26)/t16-/m0/s1

InChI Key

UPTWMHNXWYNWIE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14933266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.98

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

3.337

Water Solubility, LogSw

-3.71

Polar Surface Area

93.335

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

E959-1291 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E959-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E959-1291?
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What is the minimum amount of E959-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E959-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E959-1291
  • 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 E959-1291 available by request