F235-1944 Screening compound: 2-{[5-(2,4-DICHLOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETIC ACID

F235-1944 Screening compound: 2-{[5-(2,4-DICHLOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETIC ACID
F235-1944 Screening compound: 2-{[5-(2,4-DICHLOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-1944
2-{[5-(2,4-DICHLOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETIC 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

F235-1944

Molecular Formula

C16H11Cl2N3O2S (C16 H11 Cl2 N3 O2 S)

Compound Name

2-{[5-(2,4-DICHLOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETIC ACID

IUPAC name

n/a

SMILES

OC(CSc1nnc(-c(ccc(Cl)c2)c2Cl)n1-c1ccccc1)=O

InChI

InChI=1S/C16H11Cl2N3O2S/c17-10-6-7-12(13(18)8-10)15-19-20-16(24-9-14(22)23)21(15)11-4-2-1-3-5-11/h1-8H,9H2,(H,22,23)

InChI Key

QFKPRWFXMVMVSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01166549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.707

Distribution Coefficient, logD

0.415

Water Solubility, LogSw

-4.08

Polar Surface Area

53.368

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.00

F235-1944 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with F235-1944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-1944?
Check Price and Availability of F235-1944, 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 F235-1944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-1944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-1944
  • 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 F235-1944 available by request