0149-0002 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol

0149-0002 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol
0149-0002 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0149-0002
2-(2H-1,2,3-benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol

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

0149-0002

Molecular Formula

C21H19N3O (C21 H19 N3 O)

Compound Name

2-(2H-1,2,3-benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol

IUPAC name

2-(2H-123-benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol

SMILES

CC(C)(c1ccccc1)c(cc1)cc(-n2nc(cccc3)c3n2)c1O

InChI

InChI=1S/C21H19N3O/c1-21(2,15-8-4-3-5-9-15)16-12-13-20(25)19(14-16)24-22-17-10-6-7-11-18(17)23-24/h3-14,25H,1-2H3

InChI Key

DFPWANCFLBQQDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00379102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.716

Distribution Coefficient, logD

5.716

Water Solubility, LogSw

-5.50

Polar Surface Area

40.248

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

0149-0002 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0149-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0149-0002?
Check Price and Availability of 0149-0002, 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 0149-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0149-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0149-0002
  • 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 0149-0002 available by request