0711-0262 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-methylbenzene-1-sulfonate

0711-0262 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-methylbenzene-1-sulfonate
0711-0262 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0711-0262
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-methylbenzene-1-sulfonate

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

0711-0262

Molecular Formula

C20H17N3O3S (C20 H17 N3 O3 S)

Compound Name

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

IUPAC name

2-(2H-123-benzotriazol-2-yl)-4-methylphenyl 4-methylbenzene-1-sulfonate

SMILES

Cc(cc1)ccc1S(Oc(ccc(C)c1)c1-n1nc(cccc2)c2n1)(=O)=O

InChI

InChI=1S/C20H17N3O3S/c1-14-7-10-16(11-8-14)27(24,25)26-20-12-9-15(2)13-19(20)23-21-17-5-3-4-6-18(17)22-23/h3-13H,1-2H3

InChI Key

LTMJZNLWDXSUAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00355810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.44

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

5.105

Distribution Coefficient, logD

5.105

Water Solubility, LogSw

-5.02

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

10.00

0711-0262 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0711-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0711-0262?
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What is the minimum amount of 0711-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0711-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0711-0262
  • 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 0711-0262 available by request