C301-4117 Screening compound: 1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-methylpiperidine

C301-4117 Screening compound: 1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-methylpiperidine
C301-4117 Screening compound: 1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4117
1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-methylpiperidine

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

C301-4117

Molecular Formula

C20H28N4O3 (C20 H28 N4 O3)

Compound Name

1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-methylpiperidine

IUPAC name

1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-methylpiperidine

SMILES

CC(CC1)CCN1C(c1nn(C2(CC(C3)C4)CC4CC3C2)cc1[N+]([O-])=O)=O

InChI

InChI=1S/C20H28N4O3/c1-13-2-4-22(5-3-13)19(25)18-17(24(26)27)12-23(21-18)20-9-14-6-15(10-20)8-16(7-14)11-20/h12-16H,2-11H2,1H3

InChI Key

ZIICINZDNTULLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.851

Distribution Coefficient, logD

3.851

Water Solubility, LogSw

-4.13

Polar Surface Area

64.563

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.00

References: we are preparing a list of scientific research reports with C301-4117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4117?
Check Price and Availability of C301-4117, 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 C301-4117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4117
  • 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 C301-4117 available by request