4250-0056 Screening compound: 4-benzyl-3-(5-bromo-2-hydroxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

4250-0056 Screening compound: 4-benzyl-3-(5-bromo-2-hydroxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
4250-0056 Screening compound: 4-benzyl-3-(5-bromo-2-hydroxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4250-0056
4-benzyl-3-(5-bromo-2-hydroxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

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

4250-0056

Molecular Formula

C15H12BrN3OS (C15 H12 BrN3 OS)

Compound Name

4-benzyl-3-(5-bromo-2-hydroxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

4-benzyl-3-(5-bromo-2-hydroxyphenyl)-45-dihydro-1H-124-triazole-5-thione

SMILES

Oc(ccc(Br)c1)c1C(N1Cc2ccccc2)=NNC1=S

InChI

InChI=1S/C15H12BrN3OS/c16-11-6-7-13(20)12(8-11)14-17-18-15(21)19(14)9-10-4-2-1-3-5-10/h1-8,20H,9H2,(H,18,21)

InChI Key

VCPDKEGUUWNTQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02320160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.061

Distribution Coefficient, logD

4.581

Water Solubility, LogSw

-4.46

Polar Surface Area

44.133

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 4250-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4250-0056?
Check Price and Availability of 4250-0056, 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 4250-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4250-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4250-0056
  • 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 4250-0056 available by request