D335-2893 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide

D335-2893 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
D335-2893 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D335-2893
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide

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

D335-2893

Molecular Formula

C17H21ClN2O2S (C17 H21 ClN2 O2 S)

Compound Name

2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide

IUPAC name

2-(4-chloro-35-dimethylphenoxy)-N-[2-(2-methyl-13-thiazol-4-yl)ethyl]propanamide

SMILES

CC(C(NCCc1csc(C)n1)=O)Oc(cc1C)cc(C)c1Cl

InChI

InChI=1S/C17H21ClN2O2S/c1-10-7-15(8-11(2)16(10)18)22-12(3)17(21)19-6-5-14-9-23-13(4)20-14/h7-9,12H,5-6H2,1-4H3,(H,19,21)/t12-/m0/s1

InChI Key

PQJJYOOQVKEEFQ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD12919735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.217

Distribution Coefficient, logD

4.217

Water Solubility, LogSw

-4.68

Polar Surface Area

41.589

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

D335-2893 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D335-2893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D335-2893?
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What is the minimum amount of D335-2893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D335-2893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D335-2893
  • 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 D335-2893 available by request