3229-0602 Screening compound: 2-[(E)-{2-[4,6-bis(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-nitrophenol

3229-0602 Screening compound: 2-[(E)-{2-[4,6-bis(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-nitrophenol
3229-0602 Screening compound: 2-[(E)-{2-[4,6-bis(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0602
2-[(E)-{2-[4,6-bis(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-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

3229-0602

Molecular Formula

C18H22N8O3 (C18 H22 N8 O3)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)cc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1O)=O

InChI

InChI=1S/C18H22N8O3/c27-15-6-5-14(26(28)29)11-13(15)12-19-23-16-20-17(24-7-1-2-8-24)22-18(21-16)25-9-3-4-10-25/h5-6,11-12,27H,1-4,7-10H2,(H,20,21,22,23)

InChI Key

NTMHWEZRQMPWGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01017192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.117

Distribution Coefficient, logD

4.208

Water Solubility, LogSw

-5.08

Polar Surface Area

107.796

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with 3229-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0602?
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What is the minimum amount of 3229-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0602
  • 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 3229-0602 available by request