E912-0052 Screening compound: ethyl 1-{[5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophen-2-yl]sulfonyl}piperidine-4-carboxylate

E912-0052 Screening compound: ethyl 1-{[5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophen-2-yl]sulfonyl}piperidine-4-carboxylate
E912-0052 Screening compound: ethyl 1-{[5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophen-2-yl]sulfonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0052
ethyl 1-{[5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophen-2-yl]sulfonyl}piperidine-4-carboxylate

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

E912-0052

Molecular Formula

C16H19N3O5S2 (C16 H19 N3 O5 S2)

Compound Name

ethyl 1-{[5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophen-2-yl]sulfonyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{[5-(6-oxo-16-dihydropyridazin-3-yl)thiophen-2-yl]sulfonyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1S(c1ccc(C(C=C2)=NNC2=O)s1)(=O)=O)=O

InChI

InChI=1S/C16H19N3O5S2/c1-2-24-16(21)11-7-9-19(10-8-11)26(22,23)15-6-4-13(25-15)12-3-5-14(20)18-17-12/h3-6,11H,2,7-10H2,1H3,(H,18,20)

InChI Key

PLLAZMGYCPAMIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.299

Distribution Coefficient, logD

2.299

Water Solubility, LogSw

-2.77

Polar Surface Area

90.859

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

E912-0052 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E912-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0052?
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What is the minimum amount of E912-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0052
  • 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 E912-0052 available by request