C301-3253 Screening compound: 1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-(2,5-dimethylphenyl)piperazine

C301-3253 Screening compound: 1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-(2,5-dimethylphenyl)piperazine
C301-3253 Screening compound: 1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-(2,5-dimethylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3253
1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-(2,5-dimethylphenyl)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

C301-3253

Molecular Formula

C26H33N5O3 (C26 H33 N5 O3)

Compound Name

1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-(2,5-dimethylphenyl)piperazine

IUPAC name

1-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]-4-(25-dimethylphenyl)piperazine

SMILES

Cc1cc(N(CC2)CCN2C(c2nn(C3(CC(C4)C5)CC5CC4C3)cc2[N+]([O-])=O)=O)c(C)cc1

InChI

InChI=1S/C26H33N5O3/c1-17-3-4-18(2)22(9-17)28-5-7-29(8-6-28)25(32)24-23(31(33)34)16-30(27-24)26-13-19-10-20(14-26)12-21(11-19)15-26/h3-4,9,16,19-21H,5-8,10-15H2,1-2H3

InChI Key

HQTMEQWTRVLQNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

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

5.314

Distribution Coefficient, logD

5.314

Water Solubility, LogSw

-5.31

Polar Surface Area

67.523

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

References: we are preparing a list of scientific research reports with C301-3253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3253?
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What is the minimum amount of C301-3253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3253
  • 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 C301-3253 available by request