2000-0157 Screening compound: (4E)-1-(3-bromophenyl)-4-({4-[ethyl(methyl)amino]phenyl}methylidene)-3-methyl-4,5-dihydro-1H-pyrazol-5-one

2000-0157 Screening compound: (4E)-1-(3-bromophenyl)-4-({4-[ethyl(methyl)amino]phenyl}methylidene)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
2000-0157 Screening compound: (4E)-1-(3-bromophenyl)-4-({4-[ethyl(methyl)amino]phenyl}methylidene)-3-methyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2000-0157
(4E)-1-(3-bromophenyl)-4-({4-[ethyl(methyl)amino]phenyl}methylidene)-3-methyl-4,5-dihydro-1H-pyrazol-5-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

2000-0157

Molecular Formula

C20H20BrN3O (C20 H20 BrN3 O)

Compound Name

(4E)-1-(3-bromophenyl)-4-({4-[ethyl(methyl)amino]phenyl}methylidene)-3-methyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-1-(3-bromophenyl)-4-({4-[ethyl(methyl)amino]phenyl}methylidene)-3-methyl-45-dihydro-1H-pyrazol-5-one

SMILES

CCN(C)c1ccc(/C=C(\C(C)=NN2c3cccc(Br)c3)/C2=O)cc1

InChI

InChI=1S/C20H20BrN3O/c1-4-23(3)17-10-8-15(9-11-17)12-19-14(2)22-24(20(19)25)18-7-5-6-16(21)13-18/h5-13H,4H2,1-3H3

InChI Key

MBQSUOSLLCXPFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.558

Distribution Coefficient, logD

4.557

Water Solubility, LogSw

-4.42

Polar Surface Area

28.538

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 2000-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2000-0157?
Check Price and Availability of 2000-0157, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2000-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2000-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2000-0157
  • 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 2000-0157 available by request