4681-1031 Screening compound: 3-methyl-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]-1H-pyrazole-5-carbohydrazide

4681-1031 Screening compound: 3-methyl-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]-1H-pyrazole-5-carbohydrazide
4681-1031 Screening compound: 3-methyl-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4681-1031
3-methyl-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]-1H-pyrazole-5-carbohydrazide

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

4681-1031

Molecular Formula

C11H13N5O (C11 H13 N5 O)

Compound Name

3-methyl-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]-1H-pyrazole-5-carbohydrazide

IUPAC name

3-methyl-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]-1H-pyrazole-5-carbohydrazide

SMILES

Cc1n[nH]c(C(N/N=C/c2cccn2C)=O)c1

InChI

InChI=1S/C11H13N5O/c1-8-6-10(14-13-8)11(17)15-12-7-9-4-3-5-16(9)2/h3-7H,1-2H3,(H,13,14)(H,15,17)

InChI Key

ZFSQBPVIFJMVAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01065691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.706

Distribution Coefficient, logD

1.705

Water Solubility, LogSw

-2.06

Polar Surface Area

61.020

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

4681-1031 in Drug Discovery

Included in Screening Libraries

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 4681-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4681-1031?
Check Price and Availability of 4681-1031, 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 4681-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4681-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4681-1031
  • 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 4681-1031 available by request