3229-0929 Screening compound: 2-ethoxy-4-[(E)-{2-[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-methyl-5-nitrobenzoate

3229-0929 Screening compound: 2-ethoxy-4-[(E)-{2-[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-methyl-5-nitrobenzoate
3229-0929 Screening compound: 2-ethoxy-4-[(E)-{2-[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-methyl-5-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0929
2-ethoxy-4-[(E)-{2-[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-methyl-5-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

3229-0929

Molecular Formula

C30H30N8O6 (C30 H30 N8 O6)

Compound Name

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

IUPAC name

2-ethoxy-4-[(E)-{2-[4-(morpholin-4-yl)-6-(phenylamino)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-methyl-5-nitrobenzoate

SMILES

CCOc(cc(/C=N/Nc1nc(N2CCOCC2)nc(Nc2ccccc2)n1)cc1)c1OC(c1cc(C)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C30H30N8O6/c1-3-43-26-17-21(9-10-25(26)44-27(39)22-15-20(2)16-24(18-22)38(40)41)19-31-36-29-33-28(32-23-7-5-4-6-8-23)34-30(35-29)37-11-13-42-14-12-37/h4-10,15-19H,3,11-14H2,1-2H3,(H2,32,33,34,35,36)

InChI Key

SKLCFTPYKIENTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01963421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

598.62

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

6.122

Distribution Coefficient, logD

6.121

Water Solubility, LogSw

-5.51

Polar Surface Area

133.767

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with 3229-0929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0929?
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What is the minimum amount of 3229-0929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0929
  • 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 3229-0929 available by request