C301-3345 Screening compound: 1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-phenylpiperazine

C301-3345 Screening compound: 1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-phenylpiperazine
C301-3345 Screening compound: 1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3345
1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-phenylpiperazine

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

C301-3345

Molecular Formula

C24H29N5O3 (C24 H29 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cn(C2(CC(C3)C4)CC4CC3C2)nc1C(N(CC1)CCN1c1ccccc1)=O)=O

InChI

InChI=1S/C24H29N5O3/c30-23(27-8-6-26(7-9-27)20-4-2-1-3-5-20)22-21(29(31)32)16-28(25-22)24-13-17-10-18(14-24)12-19(11-17)15-24/h1-5,16-19H,6-15H2

InChI Key

XHHVIPNUGVPUCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.156

Distribution Coefficient, logD

4.156

Water Solubility, LogSw

-4.28

Polar Surface Area

67.824

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

References: we are preparing a list of scientific research reports with C301-3345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3345?
Check Price and Availability of C301-3345, 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 C301-3345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3345
  • 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 C301-3345 available by request