1682-4985 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2-ethylaniline

1682-4985 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2-ethylaniline
1682-4985 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2-ethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-4985
N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2-ethylaniline

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

1682-4985

Molecular Formula

C15H16N4 (C15 H16 N4)

Compound Name

N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2-ethylaniline

IUPAC name

N-[(1H-123-benzotriazol-1-yl)methyl]-2-ethylaniline

SMILES

CCc(cccc1)c1NCn1nnc2c1cccc2

InChI

InChI=1S/C15H16N4/c1-2-12-7-3-4-8-13(12)16-11-19-15-10-6-5-9-14(15)17-18-19/h3-10,16H,2,11H2,1H3

InChI Key

HZRVJAPLYVNCMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00708183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.290

Distribution Coefficient, logD

3.290

Water Solubility, LogSw

-3.18

Polar Surface Area

36.126

Acid Dissociation Constant (pKa)

20.30

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 1682-4985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-4985?
Check Price and Availability of 1682-4985, 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 1682-4985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-4985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-4985
  • 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 1682-4985 available by request