0466-0376 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzenesulfonate

0466-0376 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzenesulfonate
0466-0376 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0466-0376
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzenesulfonate

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

0466-0376

Molecular Formula

C19H15N3O3S (C19 H15 N3 O3 S)

Compound Name

2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzenesulfonate

IUPAC name

2-(2H-123-benzotriazol-2-yl)-4-methylphenyl benzenesulfonate

SMILES

Cc(cc1)cc(-n2nc(cccc3)c3n2)c1OS(c1ccccc1)(=O)=O

InChI

InChI=1S/C19H15N3O3S/c1-14-11-12-19(25-26(23,24)15-7-3-2-4-8-15)18(13-14)22-20-16-9-5-6-10-17(16)21-22/h2-13H,1H3

InChI Key

ULSYDUYWTBJCEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00371711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.497

Distribution Coefficient, logD

4.497

Water Solubility, LogSw

-4.45

Polar Surface Area

59.820

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

0466-0376 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0466-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0466-0376?
Check Price and Availability of 0466-0376, 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 0466-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0466-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0466-0376
  • 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 0466-0376 available by request