K404-0307 Screening compound: 3-[4-(difluoromethoxy)phenyl]-1-(4-ethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium

K404-0307 Screening compound: 3-[4-(difluoromethoxy)phenyl]-1-(4-ethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
K404-0307 Screening compound: 3-[4-(difluoromethoxy)phenyl]-1-(4-ethoxyphenyl)-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 K404-0307
3-[4-(difluoromethoxy)phenyl]-1-(4-ethoxyphenyl)-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

K404-0307

Molecular Formula

C21H23F2N2O3S (C21 H23 F2 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1[N+](C1)=C2SCCCN2C1(c(cc1)ccc1OC(F)F)O

InChI

InChI=1S/C21H23F2N2O3S/c1-2-27-17-10-6-16(7-11-17)24-14-21(26,25-12-3-13-29-20(24)25)15-4-8-18(9-5-15)28-19(22)23/h4-11,19,26H,2-3,12-14H2,1H3/q+1/t21-/m0/s1

InChI Key

DJNKCQHILUVDDI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02935789

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

421.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.696

Distribution Coefficient, logD

4.696

Water Solubility, LogSw

-4.11

Polar Surface Area

37.240

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-7.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with K404-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K404-0307?
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What is the minimum amount of K404-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K404-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K404-0307
  • 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 K404-0307 available by request