K404-0640 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium

K404-0640 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium
K404-0640 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound K404-0640
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-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

K404-0640

Molecular Formula

C21H23N2O3 (C21 H23 N2 O3)

Compound Name

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium

IUPAC name

3-(23-dihydro-14-benzodioxin-6-yl)-3-hydroxy-1-phenyl-2H3H5H6H7H8H-1lambda5-imidazo[12-a]pyridin-1-ylium

SMILES

OC(C1)(c(cc2)cc3c2OCCO3)N(CCCC2)C2=[N+]1c1ccccc1

InChI

InChI=1S/C21H23N2O3/c24-21(16-9-10-18-19(14-16)26-13-12-25-18)15-22(17-6-2-1-3-7-17)20-8-4-5-11-23(20)21/h1-3,6-7,9-10,14,24H,4-5,8,11-13,15H2/q+1/t21-/m0/s1

InChI Key

MKPSYYVDFYMZFE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02935835

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

351.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.608

Distribution Coefficient, logD

2.608

Water Solubility, LogSw

-2.66

Polar Surface Area

38.634

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-9.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

K404-0640 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 K404-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K404-0640?
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What is the minimum amount of K404-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K404-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K404-0640
  • 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 K404-0640 available by request