C590-0096 Screening compound: 1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]azepane

C590-0096 Screening compound: 1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]azepane
C590-0096 Screening compound: 1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C590-0096
1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]azepane

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

C590-0096

Molecular Formula

C17H21N3O (C17 H21 N3 O)

Compound Name

1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]azepane

IUPAC name

1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]azepane

SMILES

Cc(cc1)ccc1-c1n[nH]c(C(N2CCCCCC2)=O)c1

InChI

InChI=1S/C17H21N3O/c1-13-6-8-14(9-7-13)15-12-16(19-18-15)17(21)20-10-4-2-3-5-11-20/h6-9,12H,2-5,10-11H2,1H3,(H,18,19)

InChI Key

NECXNQICBMNGPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.996

Distribution Coefficient, logD

3.995

Water Solubility, LogSw

-3.99

Polar Surface Area

39.708

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with C590-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C590-0096?
Check Price and Availability of C590-0096, 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 C590-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C590-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C590-0096
  • 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 C590-0096 available by request