1778-0369 Screening compound: 1-(2-nitrobenzoyl)-1H-1,2,3-benzotriazole

1778-0369 Screening compound: 1-(2-nitrobenzoyl)-1H-1,2,3-benzotriazole
1778-0369 Screening compound: 1-(2-nitrobenzoyl)-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1778-0369
1-(2-nitrobenzoyl)-1H-1,2,3-benzotriazole

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

1778-0369

Molecular Formula

C13H8N4O3 (C13 H8 N4 O3)

Compound Name

1-(2-nitrobenzoyl)-1H-1,2,3-benzotriazole

IUPAC name

1-(2-nitrobenzoyl)-1H-123-benzotriazole

SMILES

[O-][N+](c(cccc1)c1C(n1nnc2c1cccc2)=O)=O

InChI

InChI=1S/C13H8N4O3/c18-13(9-5-1-3-7-11(9)17(19)20)16-12-8-4-2-6-10(12)14-15-16/h1-8H

InChI Key

QPSDPYKDZGDKDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00508597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.567

Distribution Coefficient, logD

1.567

Water Solubility, LogSw

-2.14

Polar Surface Area

72.077

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1778-0369 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 1778-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1778-0369?
Check Price and Availability of 1778-0369, 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 1778-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1778-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1778-0369
  • 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 1778-0369 available by request