4551-0110 Screening compound: 1-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium

4551-0110 Screening compound: 1-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
4551-0110 Screening compound: 1-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4551-0110
1-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-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

4551-0110

Molecular Formula

C22H27N2OS (C22 H27 N2 OS)

Compound Name

1-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium

IUPAC name

1-(23-dimethylphenyl)-3-(4-ethylphenyl)-3-hydroxy-2H3H5H6H7H-1lambda5-imidazo[21-b][13]thiazin-1-ylium

SMILES

CCc1ccc(C(C2)(N(CCCS3)C3=[N+]2c2c(C)c(C)ccc2)O)cc1

InChI

InChI=1S/C22H27N2OS/c1-4-18-9-11-19(12-10-18)22(25)15-23(21-24(22)13-6-14-26-21)20-8-5-7-16(2)17(20)3/h5,7-12,25H,4,6,13-15H2,1-3H3/q+1/t22-/m0/s1

InChI Key

QIDGAHMJZPRKIC-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

367.54

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.041

Distribution Coefficient, logD

6.041

Water Solubility, LogSw

-5.43

Polar Surface Area

23.210

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 4551-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4551-0110?
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What is the minimum amount of 4551-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4551-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4551-0110
  • 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 4551-0110 available by request