K072-0123 Screening compound: (E)-1-(1-methyl-1H-pyrrol-2-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine

K072-0123 Screening compound: (E)-1-(1-methyl-1H-pyrrol-2-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine
K072-0123 Screening compound: (E)-1-(1-methyl-1H-pyrrol-2-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound K072-0123
(E)-1-(1-methyl-1H-pyrrol-2-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine

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

K072-0123

Molecular Formula

C8H9N5 (C8 H9 N5)

Compound Name

(E)-1-(1-methyl-1H-pyrrol-2-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine

IUPAC name

(E)-1-(1-methyl-1H-pyrrol-2-yl)-N-(4H-124-triazol-4-yl)methanimine

SMILES

Cn1c(/C=N/n2cnnc2)ccc1

InChI

InChI=1S/C8H9N5/c1-12-4-2-3-8(12)5-11-13-6-9-10-7-13/h2-7H,1H3

InChI Key

MTHLGJBUOHJHKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00847066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

175.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.537

Distribution Coefficient, logD

0.536

Water Solubility, LogSw

-0.75

Polar Surface Area

37.104

Acid Dissociation Constant (pKa)

30.69

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K072-0123 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K072-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K072-0123?
Check Price and Availability of K072-0123, 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 K072-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K072-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K072-0123
  • 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 K072-0123 available by request