3174-1409 Screening compound: (4Z)-1-(4-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)methylidene]pyrazolidine-3,5-dione

3174-1409 Screening compound: (4Z)-1-(4-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)methylidene]pyrazolidine-3,5-dione
3174-1409 Screening compound: (4Z)-1-(4-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)methylidene]pyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3174-1409
(4Z)-1-(4-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)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

3174-1409

Molecular Formula

C16H10FN3O5 (C16 H10 FN3 O5)

Compound Name

(4Z)-1-(4-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)methylidene]pyrazolidine-3,5-dione

IUPAC name

(4Z)-1-(4-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)methylidene]pyrazolidine-35-dione

SMILES

[O-][N+](c(cc(/C=C(/C(NN1c(cc2)ccc2F)=O)\C1=O)cc1)c1O)=O

InChI

InChI=1S/C16H10FN3O5/c17-10-2-4-11(5-3-10)19-16(23)12(15(22)18-19)7-9-1-6-14(21)13(8-9)20(24)25/h1-8,21H,(H,18,22)

InChI Key

RACSTANOGTYUIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01784822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.27

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.291

Distribution Coefficient, logD

1.498

Water Solubility, LogSw

-2.65

Polar Surface Area

92.389

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3174-1409 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3174-1409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3174-1409?
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What is the minimum amount of 3174-1409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3174-1409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3174-1409
  • 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 3174-1409 available by request