K404-0279 Screening compound: 3-(3,4-dimethoxyphenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium

K404-0279 Screening compound: 3-(3,4-dimethoxyphenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
K404-0279 Screening compound: 3-(3,4-dimethoxyphenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound K404-0279
3-(3,4-dimethoxyphenyl)-3-hydroxy-1-(4-methoxyphenyl)-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

K404-0279

Molecular Formula

C21H25N2O4S (C21 H25 N2 O4 S)

Compound Name

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

IUPAC name

3-(34-dimethoxyphenyl)-3-hydroxy-1-(4-methoxyphenyl)-2H3H5H6H7H-1lambda5-imidazo[21-b][13]thiazin-1-ylium

SMILES

COc(cc1)ccc1[N+](C1)=C2SCCCN2C1(c(cc1)cc(OC)c1OC)O

InChI

InChI=1S/C21H25N2O4S/c1-25-17-8-6-16(7-9-17)22-14-21(24,23-11-4-12-28-20(22)23)15-5-10-18(26-2)19(13-15)27-3/h5-10,13,24H,4,11-12,14H2,1-3H3/q+1/t21-/m0/s1

InChI Key

WEHKMIYGPAWGLA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02935782

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.822

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-3.90

Polar Surface Area

46.316

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

K404-0279 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K404-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K404-0279?
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What is the minimum amount of K404-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K404-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K404-0279
  • 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 K404-0279 available by request