3229-0842 Screening compound: 4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-nitrobenzoate

3229-0842 Screening compound: 4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-nitrobenzoate
3229-0842 Screening compound: 4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0842
4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-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

3229-0842

Molecular Formula

C28H26N8O4 (C28 H26 N8 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cc(C(Oc2ccc(/C=N/Nc3nc(N4CCCCC4)nc(Nc4ccccc4)n3)cc2)=O)ccc1)=O

InChI

InChI=1S/C28H26N8O4/c37-25(21-8-7-11-23(18-21)36(38)39)40-24-14-12-20(13-15-24)19-29-34-27-31-26(30-22-9-3-1-4-10-22)32-28(33-27)35-16-5-2-6-17-35/h1,3-4,7-15,18-19H,2,5-6,16-17H2,(H2,30,31,32,33,34)

InChI Key

HOOZPSVVAQWMNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01963413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

6.766

Distribution Coefficient, logD

6.765

Water Solubility, LogSw

-6.14

Polar Surface Area

118.561

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with 3229-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0842?
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What is the minimum amount of 3229-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0842
  • 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 3229-0842 available by request