3229-0544 Screening compound: 4-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxy-6-nitrophenol

3229-0544 Screening compound: 4-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxy-6-nitrophenol
3229-0544 Screening compound: 4-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxy-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0544
4-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxy-6-nitrophenol

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

3229-0544

Molecular Formula

C23H20N8O4 (C23 H20 N8 O4)

Compound Name

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

IUPAC name

4-[(E)-{2-[46-bis(phenylamino)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxy-6-nitrophenol

SMILES

COc1cc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc([N+]([O-])=O)c1O

InChI

InChI=1S/C23H20N8O4/c1-35-19-13-15(12-18(20(19)32)31(33)34)14-24-30-23-28-21(25-16-8-4-2-5-9-16)27-22(29-23)26-17-10-6-3-7-11-17/h2-14,32H,1H3,(H3,25,26,27,28,29,30)

InChI Key

WAVQLBCRMVGYQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01963366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.712

Distribution Coefficient, logD

4.831

Water Solubility, LogSw

-5.48

Polar Surface Area

128.659

Acid Dissociation Constant (pKa)

6.58

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 3229-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0544?
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What is the minimum amount of 3229-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0544
  • 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 3229-0544 available by request