K404-0368 Screening compound: 3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(2-methylphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium

K404-0368 Screening compound: 3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(2-methylphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
K404-0368 Screening compound: 3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(2-methylphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound K404-0368
3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(2-methylphenyl)-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

K404-0368

Molecular Formula

C20H21F2N2O2S (C20 H21 F2 N2 O2 S)

Compound Name

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

IUPAC name

3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(2-methylphenyl)-2H3H5H6H7H-1lambda5-imidazo[21-b][13]thiazin-1-ylium

SMILES

Cc(cccc1)c1[N+](C1)=C2SCCCN2C1(c(cc1)ccc1OC(F)F)O

InChI

InChI=1S/C20H21F2N2O2S/c1-14-5-2-3-6-17(14)23-13-20(25,24-11-4-12-27-19(23)24)15-7-9-16(10-8-15)26-18(21)22/h2-3,5-10,18,25H,4,11-13H2,1H3/q+1/t20-/m0/s1

InChI Key

PRWYSFWWHSEJLL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02935812

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

391.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.686

Distribution Coefficient, logD

4.686

Water Solubility, LogSw

-4.20

Polar Surface Area

29.815

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-6.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with K404-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K404-0368?
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What is the minimum amount of K404-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K404-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K404-0368
  • 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 K404-0368 available by request