1273-0061 Screening compound: 3-hexadecyl-1-phenyl-1H-1,3-benzodiazol-3-ium

1273-0061 Screening compound: 3-hexadecyl-1-phenyl-1H-1,3-benzodiazol-3-ium
1273-0061 Screening compound: 3-hexadecyl-1-phenyl-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1273-0061
3-hexadecyl-1-phenyl-1H-1,3-benzodiazol-3-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

1273-0061

Molecular Formula

C29H43N2 (C29 H43 N2)

Compound Name

3-hexadecyl-1-phenyl-1H-1,3-benzodiazol-3-ium

IUPAC name

3-hexadecyl-1-phenyl-1H-13-benzodiazol-3-ium

SMILES

CCCCCCCCCCCCCCCC[n+](c1c2cccc1)cn2-c1ccccc1

InChI

InChI=1S/C29H43N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-30-26-31(27-21-16-15-17-22-27)29-24-19-18-23-28(29)30/h15-19,21-24,26H,2-14,20,25H2,1H3/q+1

InChI Key

LFLDQGMJNMZCIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01364932

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

419.67

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

10.436

Distribution Coefficient, logD

10.436

Water Solubility, LogSw

-6.25

Polar Surface Area

3.842

Acid Dissociation Constant (pKa)

27.10

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.20

References: we are preparing a list of scientific research reports with 1273-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1273-0061?
Check Price and Availability of 1273-0061, 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 1273-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1273-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1273-0061
  • 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 1273-0061 available by request