E984-3315 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-(4-methylphenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]acetamide

E984-3315 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-(4-methylphenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]acetamide
E984-3315 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-(4-methylphenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E984-3315
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-(4-methylphenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]acetamide

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

E984-3315

Molecular Formula

C23H28N4O2 (C23 H28 N4 O2)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-(4-methylphenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-(4-methylphenyl)-5-oxo-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl]acetamide

SMILES

Cc(cc1)ccc1-c1nn(CCC(N2CC(NCCC3=CCCCC3)=O)=O)c2c1

InChI

InChI=1S/C23H28N4O2/c1-17-7-9-19(10-8-17)20-15-22-26(23(29)12-14-27(22)25-20)16-21(28)24-13-11-18-5-3-2-4-6-18/h5,7-10,15H,2-4,6,11-14,16H2,1H3,(H,24,28)

InChI Key

BTSVFFGPADIKEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.475

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-3.53

Polar Surface Area

52.526

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

E984-3315 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E984-3315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E984-3315?
Check Price and Availability of E984-3315, 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 E984-3315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E984-3315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E984-3315
  • 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 E984-3315 available by request