4075-3514 Screening compound: 5-methyl-4-{[5-methyl-1-(prop-2-en-1-yl)-1H-pyrazol-4-yl]methyl}-1-(prop-2-en-1-yl)-1H-pyrazole

4075-3514 Screening compound: 5-methyl-4-{[5-methyl-1-(prop-2-en-1-yl)-1H-pyrazol-4-yl]methyl}-1-(prop-2-en-1-yl)-1H-pyrazole
4075-3514 Screening compound: 5-methyl-4-{[5-methyl-1-(prop-2-en-1-yl)-1H-pyrazol-4-yl]methyl}-1-(prop-2-en-1-yl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4075-3514
5-methyl-4-{[5-methyl-1-(prop-2-en-1-yl)-1H-pyrazol-4-yl]methyl}-1-(prop-2-en-1-yl)-1H-pyrazole

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

4075-3514

Molecular Formula

C15H20N4 (C15 H20 N4)

Compound Name

5-methyl-4-{[5-methyl-1-(prop-2-en-1-yl)-1H-pyrazol-4-yl]methyl}-1-(prop-2-en-1-yl)-1H-pyrazole

IUPAC name

5-methyl-4-{[5-methyl-1-(prop-2-en-1-yl)-1H-pyrazol-4-yl]methyl}-1-(prop-2-en-1-yl)-1H-pyrazole

SMILES

Cc1c(Cc2c(C)n(CC=C)nc2)cnn1CC=C

InChI

InChI=1S/C15H20N4/c1-5-7-18-12(3)14(10-16-18)9-15-11-17-19(8-6-2)13(15)4/h5-6,10-11H,1-2,7-9H2,3-4H3

InChI Key

NYSSGNIDJQDYKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02736230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.055

Distribution Coefficient, logD

2.055

Water Solubility, LogSw

-1.49

Polar Surface Area

28.324

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4075-3514 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4075-3514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4075-3514?
Check Price and Availability of 4075-3514, 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 4075-3514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4075-3514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4075-3514
  • 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 4075-3514 available by request