3174-0133 Screening compound: (4Z)-4-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-1-phenylpyrazolidine-3,5-dione

3174-0133 Screening compound: (4Z)-4-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-1-phenylpyrazolidine-3,5-dione
3174-0133 Screening compound: (4Z)-4-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-1-phenylpyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3174-0133
(4Z)-4-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-1-phenylpyrazolidine-3,5-dione

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

3174-0133

Molecular Formula

C18H16BrN3O2 (C18 H16 BrN3 O2)

Compound Name

(4Z)-4-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-1-phenylpyrazolidine-3,5-dione

IUPAC name

(4Z)-4-{[3-bromo-4-(dimethylamino)phenyl]methylidene}-1-phenylpyrazolidine-35-dione

SMILES

CN(C)c(ccc(/C=C(/C(NN1c2ccccc2)=O)\C1=O)c1)c1Br

InChI

InChI=1S/C18H16BrN3O2/c1-21(2)16-9-8-12(11-15(16)19)10-14-17(23)20-22(18(14)24)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,23)

InChI Key

ZLCSINPKWBYDTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00981294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.037

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.46

Polar Surface Area

45.264

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 3174-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3174-0133?
Check Price and Availability of 3174-0133, 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 3174-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3174-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3174-0133
  • 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 3174-0133 available by request