2039-0539 Screening compound: 4-[(E)-(2-{4-[(4-fluorophenyl)amino]-6-(piperidin-1-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-2-methoxy-3-nitrophenyl acetate

2039-0539 Screening compound: 4-[(E)-(2-{4-[(4-fluorophenyl)amino]-6-(piperidin-1-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-2-methoxy-3-nitrophenyl acetate
2039-0539 Screening compound: 4-[(E)-(2-{4-[(4-fluorophenyl)amino]-6-(piperidin-1-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-2-methoxy-3-nitrophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2039-0539
4-[(E)-(2-{4-[(4-fluorophenyl)amino]-6-(piperidin-1-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-2-methoxy-3-nitrophenyl acetate

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

2039-0539

Molecular Formula

C24H25FN8O5 (C24 H25 FN8 O5)

Compound Name

4-[(E)-(2-{4-[(4-fluorophenyl)amino]-6-(piperidin-1-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-2-methoxy-3-nitrophenyl acetate

IUPAC name

4-[(E)-(2-{4-[(4-fluorophenyl)amino]-6-(piperidin-1-yl)-135-triazin-2-yl}hydrazin-1-ylidene)methyl]-2-methoxy-3-nitrophenyl acetate

SMILES

CC(Oc(ccc(/C=N/Nc1nc(Nc(cc2)ccc2F)nc(N2CCCCC2)n1)c1[N+]([O-])=O)c1OC)=O

InChI

InChI=1S/C24H25FN8O5/c1-15(34)38-19-11-6-16(20(33(35)36)21(19)37-2)14-26-31-23-28-22(27-18-9-7-17(25)8-10-18)29-24(30-23)32-12-4-3-5-13-32/h6-11,14H,3-5,12-13H2,1-2H3,(H2,27,28,29,30,31)

InChI Key

AMSRHGGMYOZJHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00621087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

6.223

Distribution Coefficient, logD

6.223

Water Solubility, LogSw

-5.47

Polar Surface Area

126.136

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with 2039-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2039-0539?
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What is the minimum amount of 2039-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2039-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2039-0539
  • 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 2039-0539 available by request