1630-1046 Screening compound: ethyl 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate

1630-1046 Screening compound: ethyl 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
1630-1046 Screening compound: ethyl 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-1046
ethyl 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-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

1630-1046

Molecular Formula

C14H20N2O3S (C14 H20 N2 O3 S)

Compound Name

ethyl 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate

IUPAC name

ethyl 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate

SMILES

CCOC(c1c(N)sc(C(N2CCCCC2)=O)c1C)=O

InChI

InChI=1S/C14H20N2O3S/c1-3-19-14(18)10-9(2)11(20-12(10)15)13(17)16-7-5-4-6-8-16/h3-8,15H2,1-2H3

InChI Key

WXWBQJRIFVEWGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00717800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.103

Distribution Coefficient, logD

2.103

Water Solubility, LogSw

-2.21

Polar Surface Area

58.917

Acid Dissociation Constant (pKa)

15.56

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

1630-1046 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1630-1046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1046?
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What is the minimum amount of 1630-1046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1046
  • 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 1630-1046 available by request