3057-1698 Screening compound: 5-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazin-1-yl]-6-methyl-2,3-dihydro-1,2,4-triazin-3-one

3057-1698 Screening compound: 5-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazin-1-yl]-6-methyl-2,3-dihydro-1,2,4-triazin-3-one
3057-1698 Screening compound: 5-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazin-1-yl]-6-methyl-2,3-dihydro-1,2,4-triazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3057-1698
5-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazin-1-yl]-6-methyl-2,3-dihydro-1,2,4-triazin-3-one

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

3057-1698

Molecular Formula

C11H9ClFN5O (C11 H9 ClFN5 O)

Compound Name

5-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazin-1-yl]-6-methyl-2,3-dihydro-1,2,4-triazin-3-one

IUPAC name

5-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazin-1-yl]-6-methyl-23-dihydro-124-triazin-3-one

SMILES

CC(C(N/N=C/c(c(F)ccc1)c1Cl)=N1)=NNC1=O

InChI

InChI=1S/C11H9ClFN5O/c1-6-10(15-11(19)18-16-6)17-14-5-7-8(12)3-2-4-9(7)13/h2-5H,1H3,(H2,15,17,18,19)

InChI Key

ZSRBGAJXCCWIML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.281

Distribution Coefficient, logD

1.634

Water Solubility, LogSw

-3.21

Polar Surface Area

65.940

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 3057-1698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3057-1698?
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What is the minimum amount of 3057-1698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3057-1698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3057-1698
  • 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 3057-1698 available by request