D411-0416 Screening compound: ethyl 1-{[5-ethyl-2-(furan-2-amido)thiophen-3-yl](pyridin-4-yl)methyl}piperidine-4-carboxylate

D411-0416 Screening compound: ethyl 1-{[5-ethyl-2-(furan-2-amido)thiophen-3-yl](pyridin-4-yl)methyl}piperidine-4-carboxylate
D411-0416 Screening compound: ethyl 1-{[5-ethyl-2-(furan-2-amido)thiophen-3-yl](pyridin-4-yl)methyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D411-0416
ethyl 1-{[5-ethyl-2-(furan-2-amido)thiophen-3-yl](pyridin-4-yl)methyl}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

D411-0416

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

ethyl 1-{[5-ethyl-2-(furan-2-amido)thiophen-3-yl](pyridin-4-yl)methyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{[5-ethyl-2-(furan-2-amido)thiophen-3-yl](pyridin-4-yl)methyl}piperidine-4-carboxylate

SMILES

CCc1cc(C(c2ccncc2)N(CC2)CCC2C(OCC)=O)c(NC(c2ccco2)=O)s1

InChI

InChI=1S/C25H29N3O4S/c1-3-19-16-20(24(33-19)27-23(29)21-6-5-15-32-21)22(17-7-11-26-12-8-17)28-13-9-18(10-14-28)25(30)31-4-2/h5-8,11-12,15-16,18,22H,3-4,9-10,13-14H2,1-2H3,(H,27,29)/t22-/m1/s1

InChI Key

BCOOEXADXGNBQX-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD09540332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.066

Distribution Coefficient, logD

2.659

Water Solubility, LogSw

-3.78

Polar Surface Area

64.638

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with D411-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D411-0416?
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What is the minimum amount of D411-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D411-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D411-0416
  • 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 D411-0416 available by request