G317-0087 Screening compound: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-ethoxycyclobut-3-ene-1,2-dione

G317-0087 Screening compound: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-ethoxycyclobut-3-ene-1,2-dione
G317-0087 Screening compound: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-ethoxycyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G317-0087
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-ethoxycyclobut-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

G317-0087

Molecular Formula

C18H22N2O3 (C18 H22 N2 O3)

Compound Name

3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-ethoxycyclobut-3-ene-1,2-dione

IUPAC name

3-[4-(25-dimethylphenyl)piperazin-1-yl]-4-ethoxycyclobut-3-ene-12-dione

SMILES

CCOC(C(C1=O)=O)=C1N(CC1)CCN1c1c(C)ccc(C)c1

InChI

InChI=1S/C18H22N2O3/c1-4-23-18-15(16(21)17(18)22)20-9-7-19(8-10-20)14-11-12(2)5-6-13(14)3/h5-6,11H,4,7-10H2,1-3H3

InChI Key

KHNINFAPTKSXBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14997353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.642

Distribution Coefficient, logD

3.642

Water Solubility, LogSw

-3.68

Polar Surface Area

40.826

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G317-0087 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G317-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G317-0087?
Check Price and Availability of G317-0087, 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 G317-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G317-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G317-0087
  • 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 G317-0087 available by request