D041-0004 Screening compound: 4-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoic acid

D041-0004 Screening compound: 4-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoic acid
D041-0004 Screening compound: 4-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0004
4-(5-{[(2-fluorophenyl)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

D041-0004

Molecular Formula

C15H11FN4O2S (C15 H11 FN4 O2 S)

Compound Name

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

IUPAC name

4-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1H-1234-tetrazol-1-yl)benzoic acid

SMILES

OC(c(cc1)ccc1-n1nnnc1SCc(cccc1)c1F)=O

InChI

InChI=1S/C15H11FN4O2S/c16-13-4-2-1-3-11(13)9-23-15-17-18-19-20(15)12-7-5-10(6-8-12)14(21)22/h1-8H,9H2,(H,21,22)

InChI Key

ZTKZQYVWQKJBKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01580916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.632

Distribution Coefficient, logD

0.746

Water Solubility, LogSw

-3.86

Polar Surface Area

68.297

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D041-0004 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D041-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0004?
Check Price and Availability of D041-0004, 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 D041-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0004
  • 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 D041-0004 available by request