8008-5389 Screening compound: 2-[(Z)-{2-[4-(dimethylamino)-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4,6-dinitrophenol

8008-5389 Screening compound: 2-[(Z)-{2-[4-(dimethylamino)-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4,6-dinitrophenol
8008-5389 Screening compound: 2-[(Z)-{2-[4-(dimethylamino)-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4,6-dinitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5389
2-[(Z)-{2-[4-(dimethylamino)-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4,6-dinitrophenol

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

8008-5389

Molecular Formula

C18H16FN9O5 (C18 H16 FN9 O5)

Compound Name

2-[(Z)-{2-[4-(dimethylamino)-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4,6-dinitrophenol

IUPAC name

2-[(Z)-{2-[4-(dimethylamino)-6-[(4-fluorophenyl)amino]-135-triazin-2-yl]hydrazin-1-ylidene}methyl]-46-dinitrophenol

SMILES

CN(C)c1nc(N/N=C\c(cc(cc2[N+]([O-])=O)[N+]([O-])=O)c2O)nc(Nc(cc2)ccc2F)n1

InChI

InChI=1S/C18H16FN9O5/c1-26(2)18-23-16(21-12-5-3-11(19)4-6-12)22-17(24-18)25-20-9-10-7-13(27(30)31)8-14(15(10)29)28(32)33/h3-9,29H,1-2H3,(H2,21,22,23,24,25)

InChI Key

OHLQFFNLHDPPSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305280

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

457.38

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

5.131

Distribution Coefficient, logD

1.297

Water Solubility, LogSw

-5.07

Polar Surface Area

146.096

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 8008-5389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5389?
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What is the minimum amount of 8008-5389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5389
  • 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 8008-5389 available by request