3229-1078 Screening compound: 4-[(E)-{2-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenyl 4-nitrobenzoate

3229-1078 Screening compound: 4-[(E)-{2-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenyl 4-nitrobenzoate
3229-1078 Screening compound: 4-[(E)-{2-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-1078
4-[(E)-{2-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenyl 4-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

3229-1078

Molecular Formula

C26H28N8O7 (C26 H28 N8 O7)

Compound Name

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

IUPAC name

4-[(E)-{2-[46-bis(morpholin-4-yl)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenyl 4-nitrobenzoate

SMILES

COc(cc(/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)cc1)c1OC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C26H28N8O7/c1-38-22-16-18(2-7-21(22)41-23(35)19-3-5-20(6-4-19)34(36)37)17-27-31-24-28-25(32-8-12-39-13-9-32)30-26(29-24)33-10-14-40-15-11-33/h2-7,16-17H,8-15H2,1H3,(H,28,29,30,31)

InChI Key

JVLNDQJVMAHAPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01021915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.56

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

4.575

Distribution Coefficient, logD

4.482

Water Solubility, LogSw

-4.59

Polar Surface Area

134.428

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with 3229-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-1078?
Check Price and Availability of 3229-1078, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3229-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-1078
  • 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 3229-1078 available by request