C614-7050 Screening compound: methyl 3-{[(3-fluorophenyl)methyl]amino}benzoate

C614-7050 Screening compound: methyl 3-{[(3-fluorophenyl)methyl]amino}benzoate
C614-7050 Screening compound: methyl 3-{[(3-fluorophenyl)methyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-7050
methyl 3-{[(3-fluorophenyl)methyl]amino}benzoate

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

C614-7050

Molecular Formula

C15H14FNO2 (C15 H14 FNO2)

Compound Name

methyl 3-{[(3-fluorophenyl)methyl]amino}benzoate

IUPAC name

methyl 3-{[(3-fluorophenyl)methyl]amino}benzoate

SMILES

COC(c1cccc(NCc2cccc(F)c2)c1)=O

InChI

InChI=1S/C15H14FNO2/c1-19-15(18)12-5-3-7-14(9-12)17-10-11-4-2-6-13(16)8-11/h2-9,17H,10H2,1H3

InChI Key

NTXBWXGVTDKNTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12632363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.607

Distribution Coefficient, logD

3.607

Water Solubility, LogSw

-3.76

Polar Surface Area

31.647

Acid Dissociation Constant (pKa)

19.39

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

C614-7050 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C614-7050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-7050?
Check Price and Availability of C614-7050, 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 C614-7050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-7050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-7050
  • 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 C614-7050 available by request