D453-0603 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-(2,3-dimethylphenoxy)acetate

D453-0603 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-(2,3-dimethylphenoxy)acetate
D453-0603 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-(2,3-dimethylphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D453-0603
4-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-(2,3-dimethylphenoxy)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

D453-0603

Molecular Formula

C17H16N4O3 (C17 H16 N4 O3)

Compound Name

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

IUPAC name

4-(1H-1234-tetrazol-1-yl)phenyl 2-(23-dimethylphenoxy)acetate

SMILES

Cc1cccc(OCC(Oc(cc2)ccc2-n2nnnc2)=O)c1C

InChI

InChI=1S/C17H16N4O3/c1-12-4-3-5-16(13(12)2)23-10-17(22)24-15-8-6-14(7-9-15)21-11-18-19-20-21/h3-9,11H,10H2,1-2H3

InChI Key

GRSCZZGPRHWFKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12918864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.34

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

3.131

Distribution Coefficient, logD

3.131

Water Solubility, LogSw

-3.28

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

17.60

D453-0603 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 D453-0603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D453-0603?
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What is the minimum amount of D453-0603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D453-0603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D453-0603
  • 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 D453-0603 available by request