8002-9476 Screening compound: 4-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-yl]-N-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine

8002-9476 Screening compound: 4-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-yl]-N-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
8002-9476 Screening compound: 4-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-yl]-N-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9476
4-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-yl]-N-(4-nitrophenyl)-6-(pyrrolidin-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

8002-9476

Molecular Formula

C20H19FN8O2 (C20 H19 FN8 O2)

Compound Name

4-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-yl]-N-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine

IUPAC name

4-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-yl]-N-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-135-triazin-2-amine

SMILES

[O-][N+](c(cc1)ccc1Nc1nc(N/N=C/c2cccc(F)c2)nc(N2CCCC2)n1)=O

InChI

InChI=1S/C20H19FN8O2/c21-15-5-3-4-14(12-15)13-22-27-19-24-18(25-20(26-19)28-10-1-2-11-28)23-16-6-8-17(9-7-16)29(30)31/h3-9,12-13H,1-2,10-11H2,(H2,23,24,25,26,27)

InChI Key

SFWSUWQILPYFEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00333157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.814

Distribution Coefficient, logD

5.814

Water Solubility, LogSw

-6.00

Polar Surface Area

98.549

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8002-9476 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8002-9476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9476?
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What is the minimum amount of 8002-9476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9476
  • 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 8002-9476 available by request