C301-3436 Screening compound: 1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-(2-methoxyphenyl)piperazine

C301-3436 Screening compound: 1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-(2-methoxyphenyl)piperazine
C301-3436 Screening compound: 1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-(2-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3436
1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-(2-methoxyphenyl)piperazine

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

C301-3436

Molecular Formula

C25H31N5O4 (C25 H31 N5 O4)

Compound Name

1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-(2-methoxyphenyl)piperazine

IUPAC name

1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-(2-methoxyphenyl)piperazine

SMILES

COc(cccc1)c1N(CC1)CCN1C(c1nn(C2(CC(C3)C4)CC4CC3C2)cc1[N+]([O-])=O)=O

InChI

InChI=1S/C25H31N5O4/c1-34-22-5-3-2-4-20(22)27-6-8-28(9-7-27)24(31)23-21(30(32)33)16-29(26-23)25-13-17-10-18(14-25)12-19(11-17)15-25/h2-5,16-19H,6-15H2,1H3

InChI Key

FUOIWXYXCYVKHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.157

Distribution Coefficient, logD

4.157

Water Solubility, LogSw

-4.30

Polar Surface Area

75.153

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with C301-3436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3436?
Check Price and Availability of C301-3436, 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 C301-3436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3436
  • 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 C301-3436 available by request