4695-0532 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-methylbenzoate

4695-0532 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-methylbenzoate
4695-0532 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4695-0532
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-methylbenzoate

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

4695-0532

Molecular Formula

C21H17N3O2 (C21 H17 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(Oc(ccc(C)c1)c1-n1nc(cccc2)c2n1)=O

InChI

InChI=1S/C21H17N3O2/c1-14-7-10-16(11-8-14)21(25)26-20-12-9-15(2)13-19(20)24-22-17-5-3-4-6-18(17)23-24/h3-13H,1-2H3

InChI Key

ZJJYWHTUPVPORO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00221840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.39

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

5.335

Distribution Coefficient, logD

5.335

Water Solubility, LogSw

-5.45

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

9.50

4695-0532 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4695-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4695-0532?
Check Price and Availability of 4695-0532, 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 4695-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4695-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4695-0532
  • 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 4695-0532 available by request