3156-2108 Screening compound: N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]butanamide

3156-2108 Screening compound: N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]butanamide
3156-2108 Screening compound: N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3156-2108
N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]butanamide

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

3156-2108

Molecular Formula

C17H18N4O2 (C17 H18 N4 O2)

Compound Name

N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]butanamide

IUPAC name

N-[2-(4-methoxyphenyl)-2H-123-benzotriazol-5-yl]butanamide

SMILES

CCCC(Nc1cc2nn(-c(cc3)ccc3OC)nc2cc1)=O

InChI

InChI=1S/C17H18N4O2/c1-3-4-17(22)18-12-5-10-15-16(11-12)20-21(19-15)13-6-8-14(23-2)9-7-13/h5-11H,3-4H2,1-2H3,(H,18,22)

InChI Key

NSJWOTURAYVXJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.633

Distribution Coefficient, logD

3.632

Water Solubility, LogSw

-3.91

Polar Surface Area

54.966

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

3156-2108 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3156-2108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3156-2108?
Check Price and Availability of 3156-2108, 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 3156-2108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3156-2108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3156-2108
  • 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 3156-2108 available by request