D453-0554 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-methoxybenzoate

D453-0554 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-methoxybenzoate
D453-0554 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D453-0554
4-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-methoxybenzoate

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

D453-0554

Molecular Formula

C15H12N4O3 (C15 H12 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C15H12N4O3/c1-21-14-5-3-2-4-13(14)15(20)22-12-8-6-11(7-9-12)19-10-16-17-18-19/h2-10H,1H3

InChI Key

JCDRJRCCSOJINX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12918827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.607

Distribution Coefficient, logD

2.607

Water Solubility, LogSw

-3.26

Polar Surface Area

68.012

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D453-0554 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D453-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D453-0554?
Check Price and Availability of D453-0554, 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 D453-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D453-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D453-0554
  • 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 D453-0554 available by request