5107-0110 Screening compound: methyl 2-[(1E)-2-(3,5-dimethyl-1H-pyrazol-4-yl)diazen-1-yl]benzoate

5107-0110 Screening compound: methyl 2-[(1E)-2-(3,5-dimethyl-1H-pyrazol-4-yl)diazen-1-yl]benzoate
5107-0110 Screening compound: methyl 2-[(1E)-2-(3,5-dimethyl-1H-pyrazol-4-yl)diazen-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5107-0110
methyl 2-[(1E)-2-(3,5-dimethyl-1H-pyrazol-4-yl)diazen-1-yl]benzoate

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

5107-0110

Molecular Formula

C13H14N4O2 (C13 H14 N4 O2)

Compound Name

methyl 2-[(1E)-2-(3,5-dimethyl-1H-pyrazol-4-yl)diazen-1-yl]benzoate

IUPAC name

methyl 2-[(1E)-2-(35-dimethyl-1H-pyrazol-4-yl)diazen-1-yl]benzoate

SMILES

Cc([nH]nc1C)c1/N=N/c(cccc1)c1C(OC)=O

InChI

InChI=1S/C13H14N4O2/c1-8-12(9(2)15-14-8)17-16-11-7-5-4-6-10(11)13(18)19-3/h4-7H,1-3H3,(H,14,15)

InChI Key

NHZQLANCKJVMBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03295179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-3.73

Polar Surface Area

64.921

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

5107-0110 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5107-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5107-0110?
Check Price and Availability of 5107-0110, 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 5107-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5107-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5107-0110
  • 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 5107-0110 available by request