E912-0197 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide

E912-0197 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
E912-0197 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0197
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-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

E912-0197

Molecular Formula

C20H22FN5O3S2 (C20 H22 FN5 O3 S2)

Compound Name

N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide

IUPAC name

N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-(6-oxo-16-dihydropyridazin-3-yl)thiophene-2-sulfonamide

SMILES

O=C(C=C1)NN=C1c(s1)ccc1S(NCCN(CC1)CCN1c(cccc1)c1F)(=O)=O

InChI

InChI=1S/C20H22FN5O3S2/c21-15-3-1-2-4-17(15)26-13-11-25(12-14-26)10-9-22-31(28,29)20-8-6-18(30-20)16-5-7-19(27)24-23-16/h1-8,22H,9-14H2,(H,24,27)

InChI Key

HMJAQLOAOQHFGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.969

Distribution Coefficient, logD

2.963

Water Solubility, LogSw

-3.48

Polar Surface Area

86.936

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E912-0197 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E912-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0197?
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What is the minimum amount of E912-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0197
  • 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 E912-0197 available by request