3173-0222 Screening compound: 4-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoic acid

3173-0222 Screening compound: 4-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoic acid
3173-0222 Screening compound: 4-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3173-0222
4-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoic acid

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

3173-0222

Molecular Formula

C16H14N4O3S (C16 H14 N4 O3 S)

Compound Name

4-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoic acid

IUPAC name

4-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-1234-tetrazol-1-yl)benzoic acid

SMILES

COc1ccc(CSc2nnnn2-c(cc2)ccc2C(O)=O)cc1

InChI

InChI=1S/C16H14N4O3S/c1-23-14-8-2-11(3-9-14)10-24-16-17-18-19-20(16)13-6-4-12(5-7-13)15(21)22/h2-9H,10H2,1H3,(H,21,22)

InChI Key

KJUUEBYKNZHOQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01580908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

0.164

Water Solubility, LogSw

-3.16

Polar Surface Area

75.841

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3173-0222 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3173-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3173-0222?
Check Price and Availability of 3173-0222, 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 3173-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3173-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3173-0222
  • 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 3173-0222 available by request