D626-0454 Screening compound: 1-{4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbonyl}piperidine-4-carboxamide

D626-0454 Screening compound: 1-{4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbonyl}piperidine-4-carboxamide
D626-0454 Screening compound: 1-{4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D626-0454
1-{4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbonyl}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

D626-0454

Molecular Formula

C19H23N3O3S (C19 H23 N3 O3 S)

Compound Name

1-{4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbonyl}piperidine-4-carboxamide

IUPAC name

1-{4-methyl-2-[(4-methylphenoxy)methyl]-13-thiazole-5-carbonyl}piperidine-4-carboxamide

SMILES

Cc1c(C(N(CC2)CCC2C(N)=O)=O)sc(COc2ccc(C)cc2)n1

InChI

InChI=1S/C19H23N3O3S/c1-12-3-5-15(6-4-12)25-11-16-21-13(2)17(26-16)19(24)22-9-7-14(8-10-22)18(20)23/h3-6,14H,7-11H2,1-2H3,(H2,20,23)

InChI Key

HNXJRJUEYAZSHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11776926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.328

Distribution Coefficient, logD

2.328

Water Solubility, LogSw

-2.66

Polar Surface Area

69.251

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

D626-0454 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with D626-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D626-0454?
Check Price and Availability of D626-0454, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D626-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D626-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D626-0454
  • 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 D626-0454 available by request