D151-0505 Screening compound: 1-{4-cyano-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazol-5-yl}piperidine-4-carboxamide

D151-0505 Screening compound: 1-{4-cyano-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazol-5-yl}piperidine-4-carboxamide
D151-0505 Screening compound: 1-{4-cyano-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazol-5-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D151-0505
1-{4-cyano-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazol-5-yl}piperidine-4-carboxamide

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

D151-0505

Molecular Formula

C21H24N4O5 (C21 H24 N4 O5)

Compound Name

1-{4-cyano-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazol-5-yl}piperidine-4-carboxamide

IUPAC name

1-{4-cyano-2-[(1E)-2-(345-trimethoxyphenyl)ethenyl]-13-oxazol-5-yl}piperidine-4-carboxamide

SMILES

COc1cc(/C=C/c2nc(C#N)c(N(CC3)CCC3C(N)=O)o2)cc(OC)c1OC

InChI

InChI=1S/C21H24N4O5/c1-27-16-10-13(11-17(28-2)19(16)29-3)4-5-18-24-15(12-22)21(30-18)25-8-6-14(7-9-25)20(23)26/h4-5,10-11,14H,6-9H2,1-3H3,(H2,23,26)

InChI Key

SDGNARTUPSYOOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06437791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.919

Distribution Coefficient, logD

1.919

Water Solubility, LogSw

-2.43

Polar Surface Area

96.457

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D151-0505 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D151-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D151-0505?
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What is the minimum amount of D151-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D151-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D151-0505
  • 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 D151-0505 available by request