0466-0361 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-(hexyloxy)benzoate

0466-0361 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-(hexyloxy)benzoate
0466-0361 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-(hexyloxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0466-0361
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-(hexyloxy)benzoate

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

0466-0361

Molecular Formula

C26H27N3O3 (C26 H27 N3 O3)

Compound Name

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

IUPAC name

2-(2H-123-benzotriazol-2-yl)-4-methylphenyl 4-(hexyloxy)benzoate

SMILES

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

InChI

InChI=1S/C26H27N3O3/c1-3-4-5-8-17-31-21-14-12-20(13-15-21)26(30)32-25-16-11-19(2)18-24(25)29-27-22-9-6-7-10-23(22)28-29/h6-7,9-16,18H,3-5,8,17H2,1-2H3

InChI Key

GJQXDKDEQNJJTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00331349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.390

Distribution Coefficient, logD

7.390

Water Solubility, LogSw

-5.59

Polar Surface Area

51.854

Acid Dissociation Constant (pKa)

27.59

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 0466-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0466-0361?
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What is the minimum amount of 0466-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0466-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0466-0361
  • 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 0466-0361 available by request