G856-9017 Screening compound: 2-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole

G856-9017 Screening compound: 2-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole
G856-9017 Screening compound: 2-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-9017
2-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole

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

G856-9017

Molecular Formula

C19H15FN4OS2 (C19 H15 FN4 OS2)

Compound Name

2-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole

IUPAC name

2-[4-(13-benzothiazole-2-carbonyl)piperazin-1-yl]-6-fluoro-13-benzothiazole

SMILES

O=C(c1nc(cccc2)c2s1)N(CC1)CCN1c1nc(ccc(F)c2)c2s1

InChI

InChI=1S/C19H15FN4OS2/c20-12-5-6-14-16(11-12)27-19(22-14)24-9-7-23(8-10-24)18(25)17-21-13-3-1-2-4-15(13)26-17/h1-6,11H,7-10H2

InChI Key

LXZMVMDYLXQQFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07193984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.488

Distribution Coefficient, logD

4.488

Water Solubility, LogSw

-4.37

Polar Surface Area

39.403

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

G856-9017 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G856-9017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9017?
Check Price and Availability of G856-9017, 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 G856-9017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9017
  • 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 G856-9017 available by request