0089-0044 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-chlorobenzoate

0089-0044 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-chlorobenzoate
0089-0044 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0089-0044
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-chlorobenzoate

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

0089-0044

Molecular Formula

C20H14ClN3O2 (C20 H14 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(-n2nc(cccc3)c3n2)c1OC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C20H14ClN3O2/c1-13-6-11-19(26-20(25)14-7-9-15(21)10-8-14)18(12-13)24-22-16-4-2-3-5-17(16)23-24/h2-12H,1H3

InChI Key

QQLOCBHSNUPSKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.507

Distribution Coefficient, logD

5.507

Water Solubility, LogSw

-6.02

Polar Surface Area

44.436

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

0089-0044 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0089-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0089-0044?
Check Price and Availability of 0089-0044, 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 0089-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0089-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0089-0044
  • 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 0089-0044 available by request