E912-0191 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide

E912-0191 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
E912-0191 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0191
N-{3-[benzyl(methyl)amino]propyl}-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-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

E912-0191

Molecular Formula

C19H22N4O3S2 (C19 H22 N4 O3 S2)

Compound Name

N-{3-[benzyl(methyl)amino]propyl}-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide

IUPAC name

N-{3-[benzyl(methyl)amino]propyl}-5-(6-oxo-16-dihydropyridazin-3-yl)thiophene-2-sulfonamide

SMILES

CN(CCCNS(c1ccc(C(C=C2)=NNC2=O)s1)(=O)=O)Cc1ccccc1

InChI

InChI=1S/C19H22N4O3S2/c1-23(14-15-6-3-2-4-7-15)13-5-12-20-28(25,26)19-11-9-17(27-19)16-8-10-18(24)22-21-16/h2-4,6-11,20H,5,12-14H2,1H3,(H,22,24)

InChI Key

CXHSEJDISBFVMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

1.782

Water Solubility, LogSw

-3.40

Polar Surface Area

84.088

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

8.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

E912-0191 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E912-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0191?
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What is the minimum amount of E912-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0191
  • 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 E912-0191 available by request