D629-0186 Screening compound: 2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

D629-0186 Screening compound: 2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
D629-0186 Screening compound: 2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D629-0186
2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

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

D629-0186

Molecular Formula

C22H24N4O2S (C22 H24 N4 O2 S)

Compound Name

2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

IUPAC name

2-{2-[(4-methylphenoxy)methyl]-13-thiazol-4-yl}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

SMILES

Cc(cc1)ccc1OCc1nc(CC(N(CC2)CCN2c2ncccc2)=O)cs1

InChI

InChI=1S/C22H24N4O2S/c1-17-5-7-19(8-6-17)28-15-21-24-18(16-29-21)14-22(27)26-12-10-25(11-13-26)20-4-2-3-9-23-20/h2-9,16H,10-15H2,1H3

InChI Key

VAWOCYVOWJANTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15142432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.988

Distribution Coefficient, logD

3.979

Water Solubility, LogSw

-4.01

Polar Surface Area

46.355

Acid Dissociation Constant (pKa)

21.26

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D629-0186 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D629-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D629-0186?
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What is the minimum amount of D629-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D629-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D629-0186
  • 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 D629-0186 available by request