4964-4381 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)(2-fluorophenyl)methanamine

4964-4381 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)(2-fluorophenyl)methanamine
4964-4381 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)(2-fluorophenyl)methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-4381
N-(1,3-benzodioxol-5-ylmethyl)(2-fluorophenyl)methanamine

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

4964-4381

Molecular Formula

C15H14FNO2 (C15 H14 FNO2)

Compound Name

N-(1,3-benzodioxol-5-ylmethyl)(2-fluorophenyl)methanamine

IUPAC name

n/a

SMILES

Fc1c(CNCc(cc2)cc3c2OCO3)cccc1

InChI

InChI=1S/C15H14FNO2/c16-13-4-2-1-3-12(13)9-17-8-11-5-6-14-15(7-11)19-10-18-14/h1-7,17H,8-10H2

InChI Key

UMDZYKCPACDSCF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

259.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.112

Distribution Coefficient, logD

0.975

Water Solubility, LogSw

-3.06

Polar Surface Area

29.120

Acid Dissociation Constant (pKa)

26.21

Base Dissociation Constant (pKb)

9.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4964-4381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-4381?
Check Price and Availability of 4964-4381, 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 4964-4381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-4381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-4381
  • 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 4964-4381 available by request