G317-0694 Screening compound: 3-{[(2,5-dimethoxyphenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione

G317-0694 Screening compound: 3-{[(2,5-dimethoxyphenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione
G317-0694 Screening compound: 3-{[(2,5-dimethoxyphenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G317-0694
3-{[(2,5-dimethoxyphenyl)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

G317-0694

Molecular Formula

C13H13NO5 (C13 H13 NO5)

Compound Name

3-{[(2,5-dimethoxyphenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione

IUPAC name

3-{[(25-dimethoxyphenyl)methyl]amino}-4-hydroxycyclobut-3-ene-12-dione

SMILES

COc(cc1)cc(CNC(C(C2=O)=O)=C2O)c1OC

InChI

InChI=1S/C13H13NO5/c1-18-8-3-4-9(19-2)7(5-8)6-14-10-11(15)13(17)12(10)16/h3-5,14-15H,6H2,1-2H3

InChI Key

LXRZZGDKCJGKDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14997409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.698

Distribution Coefficient, logD

-4.112

Water Solubility, LogSw

-2.04

Polar Surface Area

67.733

Acid Dissociation Constant (pKa)

-1.20

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G317-0694 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G317-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G317-0694?
Check Price and Availability of G317-0694, 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 G317-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G317-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G317-0694
  • 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 G317-0694 available by request