K404-0035 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium

K404-0035 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
K404-0035 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound K404-0035
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-phenyl-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

K404-0035

Molecular Formula

C20H21N2O3S (C20 H21 N2 O3 S)

Compound Name

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium

IUPAC name

3-(23-dihydro-14-benzodioxin-6-yl)-3-hydroxy-1-phenyl-2H3H5H6H7H-1lambda5-imidazo[21-b][13]thiazin-1-ylium

SMILES

OC(C1)(c(cc2)cc3c2OCCO3)N(CCCS2)C2=[N+]1c1ccccc1

InChI

InChI=1S/C20H21N2O3S/c23-20(15-7-8-17-18(13-15)25-11-10-24-17)14-21(16-5-2-1-3-6-16)19-22(20)9-4-12-26-19/h1-3,5-8,13,23H,4,9-12,14H2/q+1/t20-/m0/s1

InChI Key

ZANKEDHIBXGUSN-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

369.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.156

Distribution Coefficient, logD

3.156

Water Solubility, LogSw

-3.24

Polar Surface Area

39.334

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with K404-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K404-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K404-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K404-0035
  • 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 K404-0035 available by request