G856-9116 Screening compound: 1-{2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl}pyrrolidine-2,5-dione

G856-9116 Screening compound: 1-{2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl}pyrrolidine-2,5-dione
G856-9116 Screening compound: 1-{2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-9116
1-{2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl}pyrrolidine-2,5-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

G856-9116

Molecular Formula

C17H17FN4O3S (C17 H17 FN4 O3 S)

Compound Name

1-{2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl}pyrrolidine-2,5-dione

IUPAC name

1-{2-[4-(4-fluoro-13-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl}pyrrolidine-25-dione

SMILES

O=C(CN(C(CC1)=O)C1=O)N(CC1)CCN1c1nc(c(F)ccc2)c2s1

InChI

InChI=1S/C17H17FN4O3S/c18-11-2-1-3-12-16(11)19-17(26-12)21-8-6-20(7-9-21)15(25)10-22-13(23)4-5-14(22)24/h1-3H,4-10H2

InChI Key

NMWSSANXIQEYQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07646783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.851

Distribution Coefficient, logD

0.851

Water Solubility, LogSw

-1.82

Polar Surface Area

60.277

Acid Dissociation Constant (pKa)

19.84

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

G856-9116 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G856-9116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9116?
Check Price and Availability of G856-9116, 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 G856-9116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9116
  • 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 G856-9116 available by request