G856-8951 Screening compound: 6-methyl-2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}-1,3-benzothiazole

G856-8951 Screening compound: 6-methyl-2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}-1,3-benzothiazole
G856-8951 Screening compound: 6-methyl-2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-8951
6-methyl-2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}-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

G856-8951

Molecular Formula

C20H18F3N3OS (C20 H18 F3 N3 OS)

Compound Name

6-methyl-2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}-1,3-benzothiazole

IUPAC name

6-methyl-2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}-13-benzothiazole

SMILES

Cc(cc1)cc2c1nc(N(CC1)CCN1C(c1cc(C(F)(F)F)ccc1)=O)s2

InChI

InChI=1S/C20H18F3N3OS/c1-13-5-6-16-17(11-13)28-19(24-16)26-9-7-25(8-10-26)18(27)14-3-2-4-15(12-14)20(21,22)23/h2-6,11-12H,7-10H2,1H3

InChI Key

AVURZHFXUZWPMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07193943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.732

Distribution Coefficient, logD

4.732

Water Solubility, LogSw

-4.67

Polar Surface Area

29.682

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G856-8951 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G856-8951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-8951?
Check Price and Availability of G856-8951, 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 G856-8951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-8951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-8951
  • 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 G856-8951 available by request