V028-4154 Screening compound: N~2~-({2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-N~2~-ethyl-2-thiophenecarboxamide

V028-4154 Screening compound: N~2~-({2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-N~2~-ethyl-2-thiophenecarboxamide
V028-4154 Screening compound: N~2~-({2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-N~2~-ethyl-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4154
N~2~-({2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-N~2~-ethyl-2-thiophenecarboxamide

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

V028-4154

Molecular Formula

C20H22N2O2S2 (C20 H22 N2 O2 S2)

Compound Name

N~2~-({2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-N~2~-ethyl-2-thiophenecarboxamide

IUPAC name

N-({2-[(23-dimethylphenoxy)methyl]-13-thiazol-4-yl}methyl)-N-ethylthiophene-2-carboxamide

SMILES

CCN(Cc1csc(COc2c(C)c(C)ccc2)n1)C(c1cccs1)=O

InChI

InChI=1S/C20H22N2O2S2/c1-4-22(20(23)18-9-6-10-25-18)11-16-13-26-19(21-16)12-24-17-8-5-7-14(2)15(17)3/h5-10,13H,4,11-12H2,1-3H3

InChI Key

IKEOCEMGWRSINX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14262969

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

386.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.044

Distribution Coefficient, logD

5.044

Water Solubility, LogSw

-4.69

Polar Surface Area

35.503

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

V028-4154 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 V028-4154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4154?
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What is the minimum amount of V028-4154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4154
  • 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 V028-4154 available by request