8017-5458 Screening compound: 3,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide

8017-5458 Screening compound: 3,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
8017-5458 Screening compound: 3,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5458
3,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide

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

8017-5458

Molecular Formula

C21H24F3N3O3 (C21 H24 F3 N3 O3)

Compound Name

3,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide

IUPAC name

34-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide

SMILES

CN(CC1)CCN1c(ccc(C(F)(F)F)c1)c1NC(c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C21H24F3N3O3/c1-26-8-10-27(11-9-26)17-6-5-15(21(22,23)24)13-16(17)25-20(28)14-4-7-18(29-2)19(12-14)30-3/h4-7,12-13H,8-11H2,1-3H3,(H,25,28)

InChI Key

KKKYOWNCGJSPQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.581

Distribution Coefficient, logD

3.581

Water Solubility, LogSw

-3.91

Polar Surface Area

44.521

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

8017-5458 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with 8017-5458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5458?
Check Price and Availability of 8017-5458, 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 8017-5458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5458
  • 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 8017-5458 available by request