F484-0590 Screening compound: 3-methyl-N-{2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}butanamide

F484-0590 Screening compound: 3-methyl-N-{2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}butanamide
F484-0590 Screening compound: 3-methyl-N-{2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F484-0590
3-methyl-N-{2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}butanamide

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

F484-0590

Molecular Formula

C15H18F3N3O (C15 H18 F3 N3 O)

Compound Name

3-methyl-N-{2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}butanamide

IUPAC name

3-methyl-N-{2-[2-(trifluoromethyl)-1H-13-benzodiazol-1-yl]ethyl}butanamide

SMILES

CC(C)CC(NCCn1c(cccc2)c2nc1C(F)(F)F)=O

InChI

InChI=1S/C15H18F3N3O/c1-10(2)9-13(22)19-7-8-21-12-6-4-3-5-11(12)20-14(21)15(16,17)18/h3-6,10H,7-9H2,1-2H3,(H,19,22)

InChI Key

SLQHKVUGRZROGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27133556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.215

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.35

Polar Surface Area

34.730

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

F484-0590 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F484-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F484-0590?
Check Price and Availability of F484-0590, 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 F484-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F484-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F484-0590
  • 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 F484-0590 available by request