3229-0543 Screening compound: 6-[(2E)-2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine

3229-0543 Screening compound: 6-[(2E)-2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine
3229-0543 Screening compound: 6-[(2E)-2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0543
6-[(2E)-2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine

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

3229-0543

Molecular Formula

C31H28N8O4 (C31 H28 N8 O4)

Compound Name

6-[(2E)-2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine

IUPAC name

6-[(2E)-2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-N2N4-diphenyl-135-triazine-24-diamine

SMILES

CCOc(cc(/C=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)cc1)c1OCc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C31H28N8O4/c1-2-42-28-19-23(15-18-27(28)43-21-22-13-16-26(17-14-22)39(40)41)20-32-38-31-36-29(33-24-9-5-3-6-10-24)35-30(37-31)34-25-11-7-4-8-12-25/h3-20H,2,21H2,1H3,(H3,33,34,35,36,37,38)

InChI Key

TXGGKXCWOJOMFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00763608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

7.422

Distribution Coefficient, logD

7.422

Water Solubility, LogSw

-5.85

Polar Surface Area

120.375

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

3229-0543 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3229-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0543?
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What is the minimum amount of 3229-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0543
  • 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 3229-0543 available by request