D453-0568 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-(2-methylphenoxy)acetate

D453-0568 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-(2-methylphenoxy)acetate
D453-0568 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-(2-methylphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D453-0568
4-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-(2-methylphenoxy)acetate

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

D453-0568

Molecular Formula

C16H14N4O3 (C16 H14 N4 O3)

Compound Name

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

IUPAC name

4-(1H-1234-tetrazol-1-yl)phenyl 2-(2-methylphenoxy)acetate

SMILES

Cc(cccc1)c1OCC(Oc(cc1)ccc1-n1nnnc1)=O

InChI

InChI=1S/C16H14N4O3/c1-12-4-2-3-5-15(12)22-10-16(21)23-14-8-6-13(7-9-14)20-11-17-18-19-20/h2-9,11H,10H2,1H3

InChI Key

OQJWMQCTQMWWPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07264244

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

2.727

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-3.06

Polar Surface Area

67.372

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D453-0568 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 D453-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D453-0568?
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What is the minimum amount of D453-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D453-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D453-0568
  • 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 D453-0568 available by request