5746-0008 Screening compound: 2-[4-(9H-fluoren-9-yl)piperazino]-5-(trifluoromethyl)-1,3,4-thiadiazole

5746-0008 Screening compound: 2-[4-(9H-fluoren-9-yl)piperazino]-5-(trifluoromethyl)-1,3,4-thiadiazole
5746-0008 Screening compound: 2-[4-(9H-fluoren-9-yl)piperazino]-5-(trifluoromethyl)-1,3,4-thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5746-0008
2-[4-(9H-fluoren-9-yl)piperazino]-5-(trifluoromethyl)-1,3,4-thiadiazole

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

5746-0008

Molecular Formula

C20H17F3N4S (C20 H17 F3 N4 S)

Compound Name

2-[4-(9H-fluoren-9-yl)piperazino]-5-(trifluoromethyl)-1,3,4-thiadiazole

IUPAC name

n/a

SMILES

FC(c1nnc(N(CC2)CCN2C2c(cccc3)c3-c3c2cccc3)s1)(F)F

InChI

InChI=1S/C20H17F3N4S/c21-20(22,23)18-24-25-19(28-18)27-11-9-26(10-12-27)17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2

InChI Key

UKNWUOWSMOQZBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03687999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.941

Distribution Coefficient, logD

4.058

Water Solubility, LogSw

-4.89

Polar Surface Area

28.857

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

8.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

5746-0008 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5746-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5746-0008?
Check Price and Availability of 5746-0008, 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 5746-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5746-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5746-0008
  • 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 5746-0008 available by request