3958-2545 Screening compound: 4-{2,5-dimethyl-3-[(E)-[(4H-1,2,4-triazol-4-yl)imino]methyl]-1H-pyrrol-1-yl}-N,N-dimethylaniline

3958-2545 Screening compound: 4-{2,5-dimethyl-3-[(E)-[(4H-1,2,4-triazol-4-yl)imino]methyl]-1H-pyrrol-1-yl}-N,N-dimethylaniline
3958-2545 Screening compound: 4-{2,5-dimethyl-3-[(E)-[(4H-1,2,4-triazol-4-yl)imino]methyl]-1H-pyrrol-1-yl}-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3958-2545
4-{2,5-dimethyl-3-[(E)-[(4H-1,2,4-triazol-4-yl)imino]methyl]-1H-pyrrol-1-yl}-N,N-dimethylaniline

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

3958-2545

Molecular Formula

C17H20N6 (C17 H20 N6)

Compound Name

4-{2,5-dimethyl-3-[(E)-[(4H-1,2,4-triazol-4-yl)imino]methyl]-1H-pyrrol-1-yl}-N,N-dimethylaniline

IUPAC name

4-{25-dimethyl-3-[(E)-[(4H-124-triazol-4-yl)imino]methyl]-1H-pyrrol-1-yl}-NN-dimethylaniline

SMILES

Cc1cc(/C=N/n2cnnc2)c(C)n1-c(cc1)ccc1N(C)C

InChI

InChI=1S/C17H20N6/c1-13-9-15(10-20-22-11-18-19-12-22)14(2)23(13)17-7-5-16(6-8-17)21(3)4/h5-12H,1-4H3

InChI Key

VLZNCISBKDHTJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02067622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.842

Distribution Coefficient, logD

1.832

Water Solubility, LogSw

-1.35

Polar Surface Area

39.676

Acid Dissociation Constant (pKa)

30.69

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 3958-2545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3958-2545?
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What is the minimum amount of 3958-2545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3958-2545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3958-2545
  • 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 3958-2545 available by request