Y040-9289 Screening compound: N-[(2-fluorophenyl)methyl]-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]benzamide

Y040-9289 Screening compound: N-[(2-fluorophenyl)methyl]-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]benzamide
Y040-9289 Screening compound: N-[(2-fluorophenyl)methyl]-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9289
N-[(2-fluorophenyl)methyl]-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]benzamide

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

Y040-9289

Molecular Formula

C16H14FN5O (C16 H14 FN5 O)

Compound Name

N-[(2-fluorophenyl)methyl]-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]benzamide

IUPAC name

N-[(2-fluorophenyl)methyl]-4-[(1H-1234-tetrazol-1-yl)methyl]benzamide

SMILES

O=C(c1ccc(Cn2nnnc2)cc1)NCc(cccc1)c1F

InChI

InChI=1S/C16H14FN5O/c17-15-4-2-1-3-14(15)9-18-16(23)13-7-5-12(6-8-13)10-22-11-19-20-21-22/h1-8,11H,9-10H2,(H,18,23)

InChI Key

VVZDONYAXMNCMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16627704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.222

Distribution Coefficient, logD

2.222

Water Solubility, LogSw

-2.64

Polar Surface Area

64.565

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

Y040-9289 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-9289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9289?
Check Price and Availability of Y040-9289, 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 Y040-9289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9289
  • 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 Y040-9289 available by request