F120-0346 Screening compound: methyl 2-[({2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}carbamoyl)amino]acetate

F120-0346 Screening compound: methyl 2-[({2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}carbamoyl)amino]acetate
F120-0346 Screening compound: methyl 2-[({2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}carbamoyl)amino]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F120-0346
methyl 2-[({2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}carbamoyl)amino]acetate

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

F120-0346

Molecular Formula

C14H15F3N4O3 (C14 H15 F3 N4 O3)

Compound Name

methyl 2-[({2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}carbamoyl)amino]acetate

IUPAC name

methyl 2-[({2-[2-(trifluoromethyl)-1H-13-benzodiazol-1-yl]ethyl}carbamoyl)amino]acetate

SMILES

COC(CNC(NCCn1c(cccc2)c2nc1C(F)(F)F)=O)=O

InChI

InChI=1S/C14H15F3N4O3/c1-24-11(22)8-19-13(23)18-6-7-21-10-5-3-2-4-9(10)20-12(21)14(15,16)17/h2-5H,6-8H2,1H3,(H2,18,19,23)

InChI Key

LKEAFVBLAJQNRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.615

Distribution Coefficient, logD

1.615

Water Solubility, LogSw

-1.91

Polar Surface Area

66.056

Acid Dissociation Constant (pKa)

14.72

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

F120-0346 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F120-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F120-0346?
Check Price and Availability of F120-0346, 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 F120-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F120-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F120-0346
  • 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 F120-0346 available by request