1778-0579 Screening compound: 1-(4-methyl-3-nitrobenzoyl)-1H-1,2,3-benzotriazole

1778-0579 Screening compound: 1-(4-methyl-3-nitrobenzoyl)-1H-1,2,3-benzotriazole
1778-0579 Screening compound: 1-(4-methyl-3-nitrobenzoyl)-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1778-0579
1-(4-methyl-3-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

1778-0579

Molecular Formula

C14H10N4O3 (C14 H10 N4 O3)

Compound Name

1-(4-methyl-3-nitrobenzoyl)-1H-1,2,3-benzotriazole

IUPAC name

1-(4-methyl-3-nitrobenzoyl)-1H-123-benzotriazole

SMILES

Cc(ccc(C(n1nnc2c1cccc2)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C14H10N4O3/c1-9-6-7-10(8-13(9)18(20)21)14(19)17-12-5-3-2-4-11(12)15-16-17/h2-8H,1H3

InChI Key

XWKFGJPXWSWHDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01213385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.26

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

2.387

Distribution Coefficient, logD

2.387

Water Solubility, LogSw

-2.57

Polar Surface Area

72.077

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

1778-0579 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 1778-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1778-0579?
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What is the minimum amount of 1778-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1778-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1778-0579
  • 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 1778-0579 available by request