1500-0349 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-3-nitroaniline

1500-0349 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-3-nitroaniline
1500-0349 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-3-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1500-0349
N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-3-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

1500-0349

Molecular Formula

C13H11N5O2 (C13 H11 N5 O2)

Compound Name

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

IUPAC name

N-[(1H-123-benzotriazol-1-yl)methyl]-3-nitroaniline

SMILES

[O-][N+](c1cc(NCn2nnc3c2cccc3)ccc1)=O

InChI

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

InChI Key

FSJMZFUALNDQSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00183538

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

2.605

Distribution Coefficient, logD

2.605

Water Solubility, LogSw

-2.81

Polar Surface Area

70.206

Acid Dissociation Constant (pKa)

17.47

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

1500-0349 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 1500-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1500-0349?
Check Price and Availability of 1500-0349, 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 1500-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1500-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1500-0349
  • 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 1500-0349 available by request