D453-0701 Screening compound: 3-(1H-1,2,3,4-tetrazol-1-yl)phenyl 3-butoxybenzoate

D453-0701 Screening compound: 3-(1H-1,2,3,4-tetrazol-1-yl)phenyl 3-butoxybenzoate
D453-0701 Screening compound: 3-(1H-1,2,3,4-tetrazol-1-yl)phenyl 3-butoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D453-0701
3-(1H-1,2,3,4-tetrazol-1-yl)phenyl 3-butoxybenzoate

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

D453-0701

Molecular Formula

C18H18N4O3 (C18 H18 N4 O3)

Compound Name

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

IUPAC name

3-(1H-1234-tetrazol-1-yl)phenyl 3-butoxybenzoate

SMILES

CCCCOc1cccc(C(Oc2cc(-n3nnnc3)ccc2)=O)c1

InChI

InChI=1S/C18H18N4O3/c1-2-3-10-24-16-8-4-6-14(11-16)18(23)25-17-9-5-7-15(12-17)22-13-19-20-21-22/h4-9,11-13H,2-3,10H2,1H3

InChI Key

JSUOMNGGAXQVOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12918694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-3.97

Polar Surface Area

67.799

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D453-0701 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 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
  • 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 D453-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D453-0701?
Check Price and Availability of D453-0701, 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 D453-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D453-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D453-0701
  • 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 D453-0701 available by request