D629-0198 Screening compound: 1-(azepan-1-yl)-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one

D629-0198 Screening compound: 1-(azepan-1-yl)-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one
D629-0198 Screening compound: 1-(azepan-1-yl)-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D629-0198
1-(azepan-1-yl)-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-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

D629-0198

Molecular Formula

C19H24N2O2S (C19 H24 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1OCc1nc(CC(N2CCCCCC2)=O)cs1

InChI

InChI=1S/C19H24N2O2S/c1-15-6-8-17(9-7-15)23-13-18-20-16(14-24-18)12-19(22)21-10-4-2-3-5-11-21/h6-9,14H,2-5,10-13H2,1H3

InChI Key

WWFCKCFTBXYCTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15142434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.181

Distribution Coefficient, logD

4.181

Water Solubility, LogSw

-4.11

Polar Surface Area

34.914

Acid Dissociation Constant (pKa)

21.26

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

D629-0198 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D629-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D629-0198?
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What is the minimum amount of D629-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D629-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D629-0198
  • 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 D629-0198 available by request