4130-3900 Screening compound: 1H-1,2,3-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone

4130-3900 Screening compound: 1H-1,2,3-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone
4130-3900 Screening compound: 1H-1,2,3-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-3900
1H-1,2,3-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone

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

4130-3900

Molecular Formula

C15H13N3O3 (C15 H13 N3 O3)

Compound Name

1H-1,2,3-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone

IUPAC name

1-(35-dimethoxybenzoyl)-1H-123-benzotriazole

SMILES

COc1cc(C(n2nnc3c2cccc3)=O)cc(OC)c1

InChI

InChI Key

FLQDVGKWMLKXAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01215905

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

2.323

Distribution Coefficient, logD

2.323

Water Solubility, LogSw

-2.57

Polar Surface Area

54.084

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

4130-3900 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 4130-3900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-3900?
Check Price and Availability of 4130-3900, 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 4130-3900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-3900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-3900
  • 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 4130-3900 available by request