D453-0621 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-ethoxybenzoate

D453-0621 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-ethoxybenzoate
D453-0621 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-ethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D453-0621
4-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-ethoxybenzoate

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

D453-0621

Molecular Formula

C16H14N4O3 (C16 H14 N4 O3)

Compound Name

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

IUPAC name

4-(1H-1234-tetrazol-1-yl)phenyl 2-ethoxybenzoate

SMILES

CCOc(cccc1)c1C(Oc(cc1)ccc1-n1nnnc1)=O

InChI

InChI=1S/C16H14N4O3/c1-2-22-15-6-4-3-5-14(15)16(21)23-13-9-7-12(8-10-13)20-11-17-18-19-20/h3-11H,2H2,1H3

InChI Key

KEFHIVBQOCNCHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12919405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.31

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

3.061

Distribution Coefficient, logD

3.061

Water Solubility, LogSw

-3.56

Polar Surface Area

67.592

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D453-0621 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 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 D453-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D453-0621?
Check Price and Availability of D453-0621, 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 D453-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D453-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D453-0621
  • 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 D453-0621 available by request