4932-0542 Screening compound: N-[2-(4-ethoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]propanamide

4932-0542 Screening compound: N-[2-(4-ethoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]propanamide
4932-0542 Screening compound: N-[2-(4-ethoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4932-0542
N-[2-(4-ethoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]propanamide

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

4932-0542

Molecular Formula

C18H20N4O2 (C18 H20 N4 O2)

Compound Name

N-[2-(4-ethoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]propanamide

IUPAC name

N-[2-(4-ethoxyphenyl)-6-methyl-2H-123-benzotriazol-5-yl]propanamide

SMILES

CCC(Nc1cc2nn(-c(cc3)ccc3OCC)nc2cc1C)=O

InChI

InChI=1S/C18H20N4O2/c1-4-18(23)19-15-11-17-16(10-12(15)3)20-22(21-17)13-6-8-14(9-7-13)24-5-2/h6-11H,4-5H2,1-3H3,(H,19,23)

InChI Key

BGTDQXXGWXSWQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03060020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

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

3.226

Distribution Coefficient, logD

3.225

Water Solubility, LogSw

-3.22

Polar Surface Area

53.848

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4932-0542 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4932-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4932-0542?
Check Price and Availability of 4932-0542, 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 4932-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4932-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4932-0542
  • 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 4932-0542 available by request