4850-0028 Screening compound: 1-(3-methyl-1-propyl-1H-pyrazol-4-yl)ethan-1-one

4850-0028 Screening compound: 1-(3-methyl-1-propyl-1H-pyrazol-4-yl)ethan-1-one
4850-0028 Screening compound: 1-(3-methyl-1-propyl-1H-pyrazol-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4850-0028
1-(3-methyl-1-propyl-1H-pyrazol-4-yl)ethan-1-one

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

4850-0028

Molecular Formula

C9H14N2O (C9 H14 N2 O)

Compound Name

1-(3-methyl-1-propyl-1H-pyrazol-4-yl)ethan-1-one

IUPAC name

1-(3-methyl-1-propyl-1H-pyrazol-4-yl)ethan-1-one

SMILES

CCCn1nc(C)c(C(C)=O)c1

InChI

InChI=1S/C9H14N2O/c1-4-5-11-6-9(8(3)12)7(2)10-11/h6H,4-5H2,1-3H3

InChI Key

OIOZUDUDABWWTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03167210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

166.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.094

Distribution Coefficient, logD

1.094

Water Solubility, LogSw

-1.41

Polar Surface Area

29.174

Acid Dissociation Constant (pKa)

21.91

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

4850-0028 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 4850-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4850-0028?
Check Price and Availability of 4850-0028, 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 4850-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4850-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4850-0028
  • 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 4850-0028 available by request