D670-0041 Screening compound: 5-bromo-2-{[2-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole

D670-0041 Screening compound: 5-bromo-2-{[2-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole
D670-0041 Screening compound: 5-bromo-2-{[2-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D670-0041
5-bromo-2-{[2-(propan-2-yl)phenoxy]methyl}-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

D670-0041

Molecular Formula

C17H17BrN2O (C17 H17 BrN2 O)

Compound Name

5-bromo-2-{[2-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole

IUPAC name

5-bromo-2-{[2-(propan-2-yl)phenoxy]methyl}-1H-13-benzodiazole

SMILES

CC(C)c(cccc1)c1OCc1nc(cc(cc2)Br)c2[nH]1

InChI

InChI=1S/C17H17BrN2O/c1-11(2)13-5-3-4-6-16(13)21-10-17-19-14-8-7-12(18)9-15(14)20-17/h3-9,11H,10H2,1-2H3,(H,19,20)

InChI Key

GVHUISGVOGFLEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23699674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.24

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.414

Distribution Coefficient, logD

5.413

Water Solubility, LogSw

-5.45

Polar Surface Area

27.834

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D670-0041 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antibacterial Compounds Library (13827 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D670-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D670-0041?
Check Price and Availability of D670-0041, 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 D670-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D670-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D670-0041
  • 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 D670-0041 available by request