6466-0195 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-{[4-(trifluoromethyl)-5H,6H-benzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one

6466-0195 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-{[4-(trifluoromethyl)-5H,6H-benzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
6466-0195 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-{[4-(trifluoromethyl)-5H,6H-benzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0195
1-(4-benzylpiperazin-1-yl)-2-{[4-(trifluoromethyl)-5H,6H-benzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one

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

6466-0195

Molecular Formula

C26H25F3N4OS (C26 H25 F3 N4 OS)

Compound Name

1-(4-benzylpiperazin-1-yl)-2-{[4-(trifluoromethyl)-5H,6H-benzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one

IUPAC name

1-(4-benzylpiperazin-1-yl)-2-{[4-(trifluoromethyl)-5H6H-benzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one

SMILES

O=C(CSc1nc(-c2c(CC3)cccc2)c3c(C(F)(F)F)n1)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C26H25F3N4OS/c27-26(28,29)24-21-11-10-19-8-4-5-9-20(19)23(21)30-25(31-24)35-17-22(34)33-14-12-32(13-15-33)16-18-6-2-1-3-7-18/h1-9H,10-17H2

InChI Key

NODDDPXBYRSOJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02572810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.029

Distribution Coefficient, logD

5.019

Water Solubility, LogSw

-4.87

Polar Surface Area

38.474

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

6466-0195 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 6466-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0195?
Check Price and Availability of 6466-0195, 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 6466-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0195
  • 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 6466-0195 available by request