4646-0412 Screening compound: [2,2-dimethyl-3-(5-methyl-1-benzofuran-2-carbonyloxy)propyl]trimethylazanium

4646-0412 Screening compound: [2,2-dimethyl-3-(5-methyl-1-benzofuran-2-carbonyloxy)propyl]trimethylazanium
4646-0412 Screening compound: [2,2-dimethyl-3-(5-methyl-1-benzofuran-2-carbonyloxy)propyl]trimethylazanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4646-0412
[2,2-dimethyl-3-(5-methyl-1-benzofuran-2-carbonyloxy)propyl]trimethylazanium

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

4646-0412

Molecular Formula

C18H26NO3 (C18 H26 NO3)

Compound Name

[2,2-dimethyl-3-(5-methyl-1-benzofuran-2-carbonyloxy)propyl]trimethylazanium

IUPAC name

[22-dimethyl-3-(5-methyl-1-benzofuran-2-carbonyloxy)propyl]trimethylazanium

SMILES

CC(C)(C[N+](C)(C)C)COC(c1cc(cc(C)cc2)c2o1)=O

InChI

InChI=1S/C18H26NO3/c1-13-7-8-15-14(9-13)10-16(22-15)17(20)21-12-18(2,3)11-19(4,5)6/h7-10H,11-12H2,1-6H3/q+1

InChI Key

FTUVEGJFKBYQKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01943830

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

304.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.757

Distribution Coefficient, logD

3.757

Water Solubility, LogSw

-3.91

Polar Surface Area

29.250

Acid Dissociation Constant (pKa)

27.62

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 4646-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4646-0412?
Check Price and Availability of 4646-0412, 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 4646-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4646-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4646-0412
  • 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 4646-0412 available by request