1683-6534 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2-nitroaniline

1683-6534 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2-nitroaniline
1683-6534 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-6534
N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2-nitroaniline

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

1683-6534

Molecular Formula

C13H11N5O2 (C13 H11 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cccc1)c1NCn1nnc2c1cccc2)=O

InChI

InChI=1S/C13H11N5O2/c19-18(20)13-8-4-1-5-10(13)14-9-17-12-7-3-2-6-11(12)15-16-17/h1-8,14H,9H2

InChI Key

SEXFXNNINSAIJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00185170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.533

Distribution Coefficient, logD

2.533

Water Solubility, LogSw

-2.62

Polar Surface Area

69.207

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

1683-6534 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1683-6534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6534?
Check Price and Availability of 1683-6534, 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 1683-6534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-6534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-6534
  • 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 1683-6534 available by request