F235-1963 Screening compound: 2-{[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

F235-1963 Screening compound: 2-{[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
F235-1963 Screening compound: 2-{[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-1963
2-{[5-(4-bromophenyl)-4-ethyl-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

F235-1963

Molecular Formula

C12H12BrN3O2S (C12 H12 BrN3 O2 S)

Compound Name

2-{[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

IUPAC name

2-{[5-(4-bromophenyl)-4-ethyl-4H-124-triazol-3-yl]sulfanyl}acetic acid

SMILES

CCn1c(SCC(O)=O)nnc1-c(cc1)ccc1Br

InChI

InChI=1S/C12H12BrN3O2S/c1-2-16-11(8-3-5-9(13)6-4-8)14-15-12(16)19-7-10(17)18/h3-6H,2,7H2,1H3,(H,17,18)

InChI Key

HDDAIBVQHDGADT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02046302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.22

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

2.753

Distribution Coefficient, logD

-0.540

Water Solubility, LogSw

-2.82

Polar Surface Area

52.621

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F235-1963 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F235-1963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-1963?
Check Price and Availability of F235-1963, 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 F235-1963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-1963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-1963
  • 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 F235-1963 available by request