1014-0065 Screening compound: (5E)-1-(4-bromophenyl)-5-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazin-1-ylidene]-1,3-diazinane-2,4,6-trione

1014-0065 Screening compound: (5E)-1-(4-bromophenyl)-5-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazin-1-ylidene]-1,3-diazinane-2,4,6-trione
1014-0065 Screening compound: (5E)-1-(4-bromophenyl)-5-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazin-1-ylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1014-0065
(5E)-1-(4-bromophenyl)-5-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazin-1-ylidene]-1,3-diazinane-2,4,6-trione

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

1014-0065

Molecular Formula

C21H17BrN6O4 (C21 H17 BrN6 O4)

Compound Name

(5E)-1-(4-bromophenyl)-5-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazin-1-ylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(4-bromophenyl)-5-[2-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)hydrazin-1-ylidene]-13-diazinane-246-trione

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1N/N=C(\C(NC(N1c(cc2)ccc2Br)=O)=O)/C1=O

InChI

InChI=1S/C21H17BrN6O4/c1-12-16(20(31)28(26(12)2)15-6-4-3-5-7-15)24-25-17-18(29)23-21(32)27(19(17)30)14-10-8-13(22)9-11-14/h3-11,24H,1-2H3,(H,23,29,32)

InChI Key

AWUNHAUGPCTKTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00576361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.735

Distribution Coefficient, logD

-2.054

Water Solubility, LogSw

-1.85

Polar Surface Area

93.747

Acid Dissociation Constant (pKa)

3.61

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

1014-0065 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1014-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1014-0065?
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What is the minimum amount of 1014-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1014-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1014-0065
  • 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 1014-0065 available by request