6026-0099 Screening compound: 2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol

6026-0099 Screening compound: 2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol
6026-0099 Screening compound: 2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6026-0099
2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol

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

6026-0099

Molecular Formula

C21H17N3OS (C21 H17 N3 OS)

Compound Name

2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol

IUPAC name

2-[5-(benzylsulfanyl)-4-phenyl-4H-124-triazol-3-yl]phenol

SMILES

Oc(cccc1)c1-c(n1-c2ccccc2)nnc1SCc1ccccc1

InChI

InChI=1S/C21H17N3OS/c25-19-14-8-7-13-18(19)20-22-23-21(24(20)17-11-5-2-6-12-17)26-15-16-9-3-1-4-10-16/h1-14,25H,15H2

InChI Key

BVEILHPWLHANJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01430989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.007

Distribution Coefficient, logD

4.746

Water Solubility, LogSw

-4.05

Polar Surface Area

41.261

Acid Dissociation Constant (pKa)

7.48

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

6026-0099 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6026-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6026-0099?
Check Price and Availability of 6026-0099, 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 6026-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6026-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6026-0099
  • 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 6026-0099 available by request