6466-0222 Screening compound: 1-(2,4-dimethylpiperidin-1-yl)-2-{[4-(trifluoromethyl)-5H,6H-benzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one

6466-0222 Screening compound: 1-(2,4-dimethylpiperidin-1-yl)-2-{[4-(trifluoromethyl)-5H,6H-benzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
6466-0222 Screening compound: 1-(2,4-dimethylpiperidin-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 6466-0222
1-(2,4-dimethylpiperidin-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

6466-0222

Molecular Formula

C22H24F3N3OS (C22 H24 F3 N3 OS)

Compound Name

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

IUPAC name

1-(24-dimethylpiperidin-1-yl)-2-{[4-(trifluoromethyl)-5H6H-benzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one

SMILES

CC(CC1)CC(C)N1C(CSc1nc(-c2c(CC3)cccc2)c3c(C(F)(F)F)n1)=O

InChI

InChI=1S/C22H24F3N3OS/c1-13-9-10-28(14(2)11-13)18(29)12-30-21-26-19-16-6-4-3-5-15(16)7-8-17(19)20(27-21)22(23,24)25/h3-6,13-14H,7-12H2,1-2H3

InChI Key

ZYRVCLZZVJSJRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.613

Distribution Coefficient, logD

5.613

Water Solubility, LogSw

-5.40

Polar Surface Area

34.218

Acid Dissociation Constant (pKa)

18.06

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

6466-0222 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6466-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0222?
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What is the minimum amount of 6466-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0222
  • 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 6466-0222 available by request