8013-2020 Screening compound: 4-nitro-2-[(E)-(2-{4-[2-(pyridin-2-yl)piperidin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol

8013-2020 Screening compound: 4-nitro-2-[(E)-(2-{4-[2-(pyridin-2-yl)piperidin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol
8013-2020 Screening compound: 4-nitro-2-[(E)-(2-{4-[2-(pyridin-2-yl)piperidin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2020
4-nitro-2-[(E)-(2-{4-[2-(pyridin-2-yl)piperidin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol

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

8013-2020

Molecular Formula

C22H21F3N8O4 (C22 H21 F3 N8 O4)

Compound Name

4-nitro-2-[(E)-(2-{4-[2-(pyridin-2-yl)piperidin-1-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol

IUPAC name

4-nitro-2-[(E)-(2-{4-[2-(pyridin-2-yl)piperidin-1-yl]-6-(222-trifluoroethoxy)-135-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol

SMILES

[O-][N+](c(cc1)cc(/C=N/Nc2nc(OCC(F)(F)F)nc(N(CCCC3)C3c3ncccc3)n2)c1O)=O

InChI

InChI=1S/C22H21F3N8O4/c23-22(24,25)13-37-21-29-19(31-27-12-14-11-15(33(35)36)7-8-18(14)34)28-20(30-21)32-10-4-2-6-17(32)16-5-1-3-9-26-16/h1,3,5,7-9,11-12,17,34H,2,4,6,10,13H2,(H,28,29,30,31)/t17-/m0/s1

InChI Key

PNPJVFHIFPIQSF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03763649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.248

Distribution Coefficient, logD

4.339

Water Solubility, LogSw

-5.06

Polar Surface Area

120.455

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 8013-2020 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8013-2020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2020
  • 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 8013-2020 available by request