F058-0890 Screening compound: N-(2-bromo-4-methylphenyl)-1-(propan-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide

F058-0890 Screening compound: N-(2-bromo-4-methylphenyl)-1-(propan-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide
F058-0890 Screening compound: N-(2-bromo-4-methylphenyl)-1-(propan-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F058-0890
N-(2-bromo-4-methylphenyl)-1-(propan-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide

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

F058-0890

Molecular Formula

C17H17BrN4O (C17 H17 BrN4 O)

Compound Name

N-(2-bromo-4-methylphenyl)-1-(propan-2-yl)-1H-1,2,3-benzotriazole-5-carboxamide

IUPAC name

N-(2-bromo-4-methylphenyl)-1-(propan-2-yl)-1H-123-benzotriazole-5-carboxamide

SMILES

CC(C)n1nnc2c1ccc(C(Nc(ccc(C)c1)c1Br)=O)c2

InChI

InChI=1S/C17H17BrN4O/c1-10(2)22-16-7-5-12(9-15(16)20-21-22)17(23)19-14-6-4-11(3)8-13(14)18/h4-10H,1-3H3,(H,19,23)

InChI Key

WROGFSJHCKSGNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27097130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.922

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-3.96

Polar Surface Area

48.798

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

F058-0890 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F058-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F058-0890?
Check Price and Availability of F058-0890, 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 F058-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F058-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F058-0890
  • 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 F058-0890 available by request