3819-1310 Screening compound: 4-bromo-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-phenyl-2,3-dihydropyridazin-3-one

3819-1310 Screening compound: 4-bromo-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-phenyl-2,3-dihydropyridazin-3-one
3819-1310 Screening compound: 4-bromo-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-phenyl-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3819-1310
4-bromo-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-phenyl-2,3-dihydropyridazin-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

3819-1310

Molecular Formula

C21H17BrF3N5O3 (C21 H17 BrF3 N5 O3)

Compound Name

4-bromo-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-phenyl-2,3-dihydropyridazin-3-one

IUPAC name

4-bromo-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-phenyl-23-dihydropyridazin-3-one

SMILES

[O-][N+](c(cc(C(F)(F)F)cc1)c1N(CC1)CCN1C(C=NN(c1ccccc1)C1=O)=C1Br)=O

InChI

InChI=1S/C21H17BrF3N5O3/c22-19-18(13-26-29(20(19)31)15-4-2-1-3-5-15)28-10-8-27(9-11-28)16-7-6-14(21(23,24)25)12-17(16)30(32)33/h1-7,12-13H,8-11H2

InChI Key

ZBPFXGKOHOKGFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.319

Distribution Coefficient, logD

4.319

Water Solubility, LogSw

-4.50

Polar Surface Area

67.028

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

3819-1310 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3819-1310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3819-1310?
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What is the minimum amount of 3819-1310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3819-1310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3819-1310
  • 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 3819-1310 available by request