1071-0045 Screening compound: 4-[(2E)-2-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-N-phenyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

1071-0045 Screening compound: 4-[(2E)-2-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-N-phenyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
1071-0045 Screening compound: 4-[(2E)-2-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-N-phenyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1071-0045
4-[(2E)-2-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-N-phenyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

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

1071-0045

Molecular Formula

C29H30N8O4 (C29 H30 N8 O4)

Compound Name

4-[(2E)-2-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-N-phenyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

IUPAC name

4-[(2E)-2-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-N-phenyl-6-(piperidin-1-yl)-135-triazin-2-amine

SMILES

COc(cc(/C=N/Nc1nc(N2CCCCC2)nc(Nc2ccccc2)n1)cc1)c1OCc(cccc1)c1[N+]([O-])=O

InChI

InChI=1S/C29H30N8O4/c1-40-26-18-21(14-15-25(26)41-20-22-10-6-7-13-24(22)37(38)39)19-30-35-28-32-27(31-23-11-4-2-5-12-23)33-29(34-28)36-16-8-3-9-17-36/h2,4-7,10-15,18-19H,3,8-9,16-17,20H2,1H3,(H2,31,32,33,34,35)

InChI Key

NBJLSZRBMPEEGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00615701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

7.046

Distribution Coefficient, logD

7.045

Water Solubility, LogSw

-5.77

Polar Surface Area

112.827

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with 1071-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1071-0045?
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What is the minimum amount of 1071-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1071-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1071-0045
  • 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 1071-0045 available by request