M033-0468 Screening compound: ethyl 1-[4-(2-ethyl-1,3-thiazol-4-yl)benzoyl]piperidine-3-carboxylate

M033-0468 Screening compound: ethyl 1-[4-(2-ethyl-1,3-thiazol-4-yl)benzoyl]piperidine-3-carboxylate
M033-0468 Screening compound: ethyl 1-[4-(2-ethyl-1,3-thiazol-4-yl)benzoyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M033-0468
ethyl 1-[4-(2-ethyl-1,3-thiazol-4-yl)benzoyl]piperidine-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

M033-0468

Molecular Formula

C20H24N2O3S (C20 H24 N2 O3 S)

Compound Name

ethyl 1-[4-(2-ethyl-1,3-thiazol-4-yl)benzoyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[4-(2-ethyl-13-thiazol-4-yl)benzoyl]piperidine-3-carboxylate

SMILES

CCc1nc(-c(cc2)ccc2C(N(CCC2)CC2C(OCC)=O)=O)cs1

InChI

InChI=1S/C20H24N2O3S/c1-3-18-21-17(13-26-18)14-7-9-15(10-8-14)19(23)22-11-5-6-16(12-22)20(24)25-4-2/h7-10,13,16H,3-6,11-12H2,1-2H3/t16-/m0/s1

InChI Key

SMNDTVJPPINNCK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27493875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.849

Distribution Coefficient, logD

3.849

Water Solubility, LogSw

-3.82

Polar Surface Area

47.803

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

M033-0468 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M033-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M033-0468?
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What is the minimum amount of M033-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M033-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M033-0468
  • 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 M033-0468 available by request