D453-0679 Screening compound: 3-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-(4-fluorophenoxy)propanoate

D453-0679 Screening compound: 3-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-(4-fluorophenoxy)propanoate
D453-0679 Screening compound: 3-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-(4-fluorophenoxy)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D453-0679
3-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-(4-fluorophenoxy)propanoate

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

D453-0679

Molecular Formula

C16H13FN4O3 (C16 H13 FN4 O3)

Compound Name

3-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-(4-fluorophenoxy)propanoate

IUPAC name

3-(1H-1234-tetrazol-1-yl)phenyl 2-(4-fluorophenoxy)propanoate

SMILES

CC(C(Oc1cc(-n2nnnc2)ccc1)=O)Oc(cc1)ccc1F

InChI

InChI=1S/C16H13FN4O3/c1-11(23-14-7-5-12(17)6-8-14)16(22)24-15-4-2-3-13(9-15)21-10-18-19-20-21/h2-11H,1H3/t11-/m0/s1

InChI Key

JKJDZVAWDXAPOB-NSHDSACASA-N

MDL Number (MFCD)

MFCD12918783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.819

Distribution Coefficient, logD

2.819

Water Solubility, LogSw

-3.41

Polar Surface Area

67.171

Acid Dissociation Constant (pKa)

20.52

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

D453-0679 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D453-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D453-0679?
Check Price and Availability of D453-0679, 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 D453-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D453-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D453-0679
  • 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 D453-0679 available by request