G317-0546 Screening compound: 3-{[(4-fluorophenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione

G317-0546 Screening compound: 3-{[(4-fluorophenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione
G317-0546 Screening compound: 3-{[(4-fluorophenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G317-0546
3-{[(4-fluorophenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-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

G317-0546

Molecular Formula

C11H8FNO3 (C11 H8 FNO3)

Compound Name

3-{[(4-fluorophenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione

IUPAC name

3-{[(4-fluorophenyl)methyl]amino}-4-hydroxycyclobut-3-ene-12-dione

SMILES

OC(C(C1=O)=O)=C1NCc(cc1)ccc1F

InChI

InChI=1S/C11H8FNO3/c12-7-3-1-6(2-4-7)5-13-8-9(14)11(16)10(8)15/h1-4,13-14H,5H2

InChI Key

ZPCIIBXDNCHQAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14997399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.527

Distribution Coefficient, logD

-4.283

Water Solubility, LogSw

-1.71

Polar Surface Area

52.559

Acid Dissociation Constant (pKa)

2.59

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

G317-0546 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G317-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G317-0546?
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What is the minimum amount of G317-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G317-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G317-0546
  • 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 G317-0546 available by request