3647-5247 Screening compound: 1-[1-(3-methyl-4-nitrobenzoyl)-1H-pyrazole-3-carbonyl]piperidine

3647-5247 Screening compound: 1-[1-(3-methyl-4-nitrobenzoyl)-1H-pyrazole-3-carbonyl]piperidine
3647-5247 Screening compound: 1-[1-(3-methyl-4-nitrobenzoyl)-1H-pyrazole-3-carbonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3647-5247
1-[1-(3-methyl-4-nitrobenzoyl)-1H-pyrazole-3-carbonyl]piperidine

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

3647-5247

Molecular Formula

C17H18N4O4 (C17 H18 N4 O4)

Compound Name

1-[1-(3-methyl-4-nitrobenzoyl)-1H-pyrazole-3-carbonyl]piperidine

IUPAC name

1-[1-(3-methyl-4-nitrobenzoyl)-1H-pyrazole-3-carbonyl]piperidine

SMILES

Cc(cc(cc1)C(n(cc2)nc2C(N2CCCCC2)=O)=O)c1[N+]([O-])=O

InChI

InChI=1S/C17H18N4O4/c1-12-11-13(5-6-15(12)21(24)25)16(22)20-10-7-14(18-20)17(23)19-8-3-2-4-9-19/h5-7,10-11H,2-4,8-9H2,1H3

InChI Key

ZIQKYWUBKBMOIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02128539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.138

Distribution Coefficient, logD

2.138

Water Solubility, LogSw

-2.71

Polar Surface Area

77.404

Acid Dissociation Constant (pKa)

27.64

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with 3647-5247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3647-5247?
Check Price and Availability of 3647-5247, 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 3647-5247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3647-5247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3647-5247
  • 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 3647-5247 available by request