8020-5404 Screening compound: 2-(chloromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazole

8020-5404 Screening compound: 2-(chloromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazole
8020-5404 Screening compound: 2-(chloromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5404
2-(chloromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazole

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

8020-5404

Molecular Formula

C10H9ClN2O2 (C10 H9 ClN2 O2)

Compound Name

2-(chloromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazole

IUPAC name

5-(chloromethyl)-1013-dioxa-46-diazatricyclo[7.4.0.0^{37}]trideca-1(9)247-tetraene

SMILES

ClCc1nc(cc2OCCOc2c2)c2[nH]1

InChI

InChI=1S/C10H9ClN2O2/c11-5-10-12-6-3-8-9(4-7(6)13-10)15-2-1-14-8/h3-4H,1-2,5H2,(H,12,13)

InChI Key

FKRAYVSKVBDJGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10694562

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

224.65

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.199

Distribution Coefficient, logD

0.988

Water Solubility, LogSw

-1.91

Polar Surface Area

36.343

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8020-5404 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-5404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5404?
Check Price and Availability of 8020-5404, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8020-5404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5404
  • 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 8020-5404 available by request