4130-3864 Screening compound: 1-(3,4-dimethoxybenzoyl)-1H-1,2,3-benzotriazole

4130-3864 Screening compound: 1-(3,4-dimethoxybenzoyl)-1H-1,2,3-benzotriazole
4130-3864 Screening compound: 1-(3,4-dimethoxybenzoyl)-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-3864
1-(3,4-dimethoxybenzoyl)-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

4130-3864

Molecular Formula

C15H13N3O3 (C15 H13 N3 O3)

Compound Name

1-(3,4-dimethoxybenzoyl)-1H-1,2,3-benzotriazole

IUPAC name

1-(34-dimethoxybenzoyl)-1H-123-benzotriazole

SMILES

COc(ccc(C(n1nnc2c1cccc2)=O)c1)c1OC

InChI

InChI=1S/C15H13N3O3/c1-20-13-8-7-10(9-14(13)21-2)15(19)18-12-6-4-3-5-11(12)16-17-18/h3-9H,1-2H3

InChI Key

GCEWJBIDLIIRAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00594564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.663

Distribution Coefficient, logD

1.663

Water Solubility, LogSw

-2.05

Polar Surface Area

54.257

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4130-3864 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Fragments Library (11262 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 4130-3864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-3864?
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What is the minimum amount of 4130-3864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-3864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-3864
  • 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 4130-3864 available by request