4357-1365 Screening compound: (4E)-4-{[4-(dimethylamino)phenyl]methylidene}-1-(4-iodophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one

4357-1365 Screening compound: (4E)-4-{[4-(dimethylamino)phenyl]methylidene}-1-(4-iodophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
4357-1365 Screening compound: (4E)-4-{[4-(dimethylamino)phenyl]methylidene}-1-(4-iodophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4357-1365
(4E)-4-{[4-(dimethylamino)phenyl]methylidene}-1-(4-iodophenyl)-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

4357-1365

Molecular Formula

C19H18IN3O (C19 H18 IN3 O)

Compound Name

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

IUPAC name

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

SMILES

CC(/C(/C1=O)=C\c(cc2)ccc2N(C)C)=NN1c(cc1)ccc1I

InChI

InChI=1S/C19H18IN3O/c1-13-18(12-14-4-8-16(9-5-14)22(2)3)19(24)23(21-13)17-10-6-15(20)7-11-17/h4-12H,1-3H3

InChI Key

LFEZBFXYVDAKDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02906894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.888

Distribution Coefficient, logD

4.888

Water Solubility, LogSw

-4.67

Polar Surface Area

28.392

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 4357-1365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4357-1365?
Check Price and Availability of 4357-1365, 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 4357-1365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4357-1365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4357-1365
  • 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 4357-1365 available by request