3174-0571 Screening compound: (4Z)-1-(4-bromophenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrazolidine-3,5-dione

3174-0571 Screening compound: (4Z)-1-(4-bromophenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrazolidine-3,5-dione
3174-0571 Screening compound: (4Z)-1-(4-bromophenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3174-0571
(4Z)-1-(4-bromophenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrazolidine-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

3174-0571

Molecular Formula

C17H13BrN2O4 (C17 H13 BrN2 O4)

Compound Name

(4Z)-1-(4-bromophenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrazolidine-3,5-dione

IUPAC name

(4Z)-1-(4-bromophenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrazolidine-35-dione

SMILES

COc(cc(/C=C(/C(NN1c(cc2)ccc2Br)=O)\C1=O)cc1)c1O

InChI

InChI=1S/C17H13BrN2O4/c1-24-15-9-10(2-7-14(15)21)8-13-16(22)19-20(17(13)23)12-5-3-11(18)4-6-12/h2-9,21H,1H3,(H,19,22)

InChI Key

CLZGHEMQFJXGFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00980811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.476

Distribution Coefficient, logD

2.105

Water Solubility, LogSw

-2.65

Polar Surface Area

66.938

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

3174-0571 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3174-0571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3174-0571?
Check Price and Availability of 3174-0571, 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 3174-0571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3174-0571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3174-0571
  • 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 3174-0571 available by request