C162-0204 Screening compound: 2-(4-benzylpiperazin-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

C162-0204 Screening compound: 2-(4-benzylpiperazin-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
C162-0204 Screening compound: 2-(4-benzylpiperazin-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C162-0204
2-(4-benzylpiperazin-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

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

C162-0204

Molecular Formula

C21H25F3N4 (C21 H25 F3 N4)

Compound Name

2-(4-benzylpiperazin-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

IUPAC name

2-(4-benzylpiperazin-1-yl)-6-methyl-4-(trifluoromethyl)-5678-tetrahydroquinazoline

SMILES

CC(CC1)Cc2c1nc(N1CCN(Cc3ccccc3)CC1)nc2C(F)(F)F

InChI

InChI=1S/C21H25F3N4/c1-15-7-8-18-17(13-15)19(21(22,23)24)26-20(25-18)28-11-9-27(10-12-28)14-16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3/t15-/m1/s1

InChI Key

RVIQPLVJFRXAKH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14723388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.45

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

5.009

Distribution Coefficient, logD

4.902

Water Solubility, LogSw

-4.58

Polar Surface Area

26.921

Acid Dissociation Constant (pKa)

19.92

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

C162-0204 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C162-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C162-0204?
Check Price and Availability of C162-0204, 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 C162-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C162-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C162-0204
  • 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 C162-0204 available by request