8018-7762 Screening compound: 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

8018-7762 Screening compound: 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
8018-7762 Screening compound: 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7762
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

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

8018-7762

Molecular Formula

C14H20N8O2 (C14 H20 N8 O2)

Compound Name

4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

IUPAC name

4-[(35-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-6-(piperidin-1-yl)-135-triazin-2-amine

SMILES

Cc(n(Cc1nc(N2CCCCC2)nc(N)n1)nc1C)c1[N+]([O-])=O

InChI

InChI=1S/C14H20N8O2/c1-9-12(22(23)24)10(2)21(19-9)8-11-16-13(15)18-14(17-11)20-6-4-3-5-7-20/h3-8H2,1-2H3,(H2,15,16,17,18)

InChI Key

KGWNPNOQMUDNIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08532214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.599

Distribution Coefficient, logD

1.599

Water Solubility, LogSw

-1.54

Polar Surface Area

101.002

Acid Dissociation Constant (pKa)

17.68

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

8018-7762 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-7762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7762?
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What is the minimum amount of 8018-7762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7762
  • 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 8018-7762 available by request