2332-1031 Screening compound: 4-(4-methoxyphenyl)-3-methyl-2-(phenylamino)-1,3-thiazol-3-ium

2332-1031 Screening compound: 4-(4-methoxyphenyl)-3-methyl-2-(phenylamino)-1,3-thiazol-3-ium
2332-1031 Screening compound: 4-(4-methoxyphenyl)-3-methyl-2-(phenylamino)-1,3-thiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-1031
4-(4-methoxyphenyl)-3-methyl-2-(phenylamino)-1,3-thiazol-3-ium

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

2332-1031

Molecular Formula

C17H17N2OS (C17 H17 N2 OS)

Compound Name

4-(4-methoxyphenyl)-3-methyl-2-(phenylamino)-1,3-thiazol-3-ium

IUPAC name

4-(4-methoxyphenyl)-3-methyl-2-(phenylamino)-13-thiazol-3-ium

SMILES

C[n+]1c(Nc2ccccc2)scc1-c(cc1)ccc1OC

InChI

InChI=1S/C17H16N2OS/c1-19-16(13-8-10-15(20-2)11-9-13)12-21-17(19)18-14-6-4-3-5-7-14/h3-12H,1-2H3/p+1

InChI Key

GMDGRXFHQFSOJE-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD03447027

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

297.4

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.852

Distribution Coefficient, logD

4.852

Water Solubility, LogSw

-4.58

Polar Surface Area

18.358

Acid Dissociation Constant (pKa)

20.94

Base Dissociation Constant (pKb)

-9.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

2332-1031 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2332-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-1031?
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What is the minimum amount of 2332-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-1031
  • 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 2332-1031 available by request