3906-0709 Screening compound: 2-[(2,4-dichlorophenoxy)methyl]-1-(3-methylbutyl)-1H-1,3-benzodiazole

3906-0709 Screening compound: 2-[(2,4-dichlorophenoxy)methyl]-1-(3-methylbutyl)-1H-1,3-benzodiazole
3906-0709 Screening compound: 2-[(2,4-dichlorophenoxy)methyl]-1-(3-methylbutyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3906-0709
2-[(2,4-dichlorophenoxy)methyl]-1-(3-methylbutyl)-1H-1,3-benzodiazole

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

3906-0709

Molecular Formula

C19H20Cl2N2O (C19 H20 Cl2 N2 O)

Compound Name

2-[(2,4-dichlorophenoxy)methyl]-1-(3-methylbutyl)-1H-1,3-benzodiazole

IUPAC name

2-[(24-dichlorophenoxy)methyl]-1-(3-methylbutyl)-1H-13-benzodiazole

SMILES

CC(C)CCn1c(cccc2)c2nc1COc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C19H20Cl2N2O/c1-13(2)9-10-23-17-6-4-3-5-16(17)22-19(23)12-24-18-8-7-14(20)11-15(18)21/h3-8,11,13H,9-10,12H2,1-2H3

InChI Key

KSTALLAYKDKHDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02859187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.103

Distribution Coefficient, logD

6.103

Water Solubility, LogSw

-6.14

Polar Surface Area

18.707

Acid Dissociation Constant (pKa)

23.91

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 3906-0709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3906-0709?
Check Price and Availability of 3906-0709, 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 3906-0709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3906-0709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3906-0709
  • 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 3906-0709 available by request