1543-0080 Screening compound: 2-methoxy-4-[(E)-{2-[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-nitrobenzoate

1543-0080 Screening compound: 2-methoxy-4-[(E)-{2-[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-nitrobenzoate
1543-0080 Screening compound: 2-methoxy-4-[(E)-{2-[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1543-0080
2-methoxy-4-[(E)-{2-[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-nitrobenzoate

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

1543-0080

Molecular Formula

C28H26N8O6 (C28 H26 N8 O6)

Compound Name

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

IUPAC name

2-methoxy-4-[(E)-{2-[4-(morpholin-4-yl)-6-(phenylamino)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-nitrobenzoate

SMILES

COc(cc(/C=N/Nc1nc(N2CCOCC2)nc(Nc2ccccc2)n1)cc1)c1OC(c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C28H26N8O6/c1-40-24-16-19(10-11-23(24)42-25(37)20-6-5-9-22(17-20)36(38)39)18-29-34-27-31-26(30-21-7-3-2-4-8-21)32-28(33-27)35-12-14-41-15-13-35/h2-11,16-18H,12-15H2,1H3,(H2,30,31,32,33,34)

InChI Key

FGXOGENSQQYPLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00850168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

5.735

Distribution Coefficient, logD

5.734

Water Solubility, LogSw

-5.61

Polar Surface Area

134.187

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with 1543-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1543-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1543-0080
  • 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 1543-0080 available by request