E912-0145 Screening compound: N-benzyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide

E912-0145 Screening compound: N-benzyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide
E912-0145 Screening compound: N-benzyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0145
N-benzyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-(2-phenylethyl)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

E912-0145

Molecular Formula

C23H21N3O3S2 (C23 H21 N3 O3 S2)

Compound Name

N-benzyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide

IUPAC name

N-benzyl-5-(6-oxo-16-dihydropyridazin-3-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide

SMILES

O=C(C=C1)NN=C1c(s1)ccc1S(N(CCc1ccccc1)Cc1ccccc1)(=O)=O

InChI

InChI=1S/C23H21N3O3S2/c27-22-13-11-20(24-25-22)21-12-14-23(30-21)31(28,29)26(17-19-9-5-2-6-10-19)16-15-18-7-3-1-4-8-18/h1-14H,15-17H2,(H,25,27)

InChI Key

KKSPNDDCSKRSHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.790

Distribution Coefficient, logD

4.790

Water Solubility, LogSw

-4.76

Polar Surface Area

69.476

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

E912-0145 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 E912-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0145?
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What is the minimum amount of E912-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0145
  • 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 E912-0145 available by request