1071-0020 Screening compound: 2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4,6-dinitrophenol

1071-0020 Screening compound: 2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4,6-dinitrophenol
1071-0020 Screening compound: 2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4,6-dinitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1071-0020
2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4,6-dinitrophenol

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

1071-0020

Molecular Formula

C22H17N9O5 (C22 H17 N9 O5)

Compound Name

2-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4,6-dinitrophenol

IUPAC name

2-[(E)-{2-[46-bis(phenylamino)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]-46-dinitrophenol

SMILES

[O-][N+](c(cc1/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc([N+]([O-])=O)c1O)=O

InChI

InChI=1S/C22H17N9O5/c32-19-14(11-17(30(33)34)12-18(19)31(35)36)13-23-29-22-27-20(24-15-7-3-1-4-8-15)26-21(28-22)25-16-9-5-2-6-10-16/h1-13,32H,(H3,24,25,26,27,28,29)

InChI Key

HVWCYTWLAXRCJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00615668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.43

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

6.202

Distribution Coefficient, logD

2.368

Water Solubility, LogSw

-5.90

Polar Surface Area

154.411

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1071-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1071-0020?
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What is the minimum amount of 1071-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1071-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1071-0020
  • 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 1071-0020 available by request