4246-2161 Screening compound: 2-(propan-2-yl)-5-{[2-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}-1H-1,3-benzodiazole

4246-2161 Screening compound: 2-(propan-2-yl)-5-{[2-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}-1H-1,3-benzodiazole
4246-2161 Screening compound: 2-(propan-2-yl)-5-{[2-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4246-2161
2-(propan-2-yl)-5-{[2-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]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

4246-2161

Molecular Formula

C21H24N4 (C21 H24 N4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1nc(cc(Cc(cc2)cc3c2[nH]c(C(C)C)n3)cc2)c2[nH]1

InChI

InChI=1S/C21H24N4/c1-12(2)20-22-16-7-5-14(10-18(16)24-20)9-15-6-8-17-19(11-15)25-21(23-17)13(3)4/h5-8,10-13H,9H2,1-4H3,(H,22,24)(H,23,25)

InChI Key

DOQOOWJBPXLOQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

4.764

Water Solubility, LogSw

-4.57

Polar Surface Area

38.549

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4246-2161 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4246-2161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4246-2161?
Check Price and Availability of 4246-2161, 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 4246-2161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4246-2161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4246-2161
  • 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 4246-2161 available by request