1552-0092 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2,3-dichloroaniline

1552-0092 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2,3-dichloroaniline
1552-0092 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2,3-dichloroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1552-0092
N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2,3-dichloroaniline

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

1552-0092

Molecular Formula

C13H10Cl2N4 (C13 H10 Cl2 N4)

Compound Name

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

IUPAC name

N-[(1H-123-benzotriazol-1-yl)methyl]-23-dichloroaniline

SMILES

Clc(cccc1NCn2nnc3c2cccc3)c1Cl

InChI

InChI=1S/C13H10Cl2N4/c14-9-4-3-6-11(13(9)15)16-8-19-12-7-2-1-5-10(12)17-18-19/h1-7,16H,8H2

InChI Key

CKZSPQIIOBZZRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01079770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.15

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.824

Distribution Coefficient, logD

3.824

Water Solubility, LogSw

-4.26

Polar Surface Area

36.126

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

1552-0092 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1552-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1552-0092?
Check Price and Availability of 1552-0092, 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 1552-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1552-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1552-0092
  • 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 1552-0092 available by request