T802-0298 Screening compound: 1-{2-[1-(3-methoxybenzoyl)piperidin-2-yl]ethyl}-4-methylpiperazine

T802-0298 Screening compound: 1-{2-[1-(3-methoxybenzoyl)piperidin-2-yl]ethyl}-4-methylpiperazine
T802-0298 Screening compound: 1-{2-[1-(3-methoxybenzoyl)piperidin-2-yl]ethyl}-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T802-0298
1-{2-[1-(3-methoxybenzoyl)piperidin-2-yl]ethyl}-4-methylpiperazine

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

T802-0298

Molecular Formula

C20H31N3O2 (C20 H31 N3 O2)

Compound Name

1-{2-[1-(3-methoxybenzoyl)piperidin-2-yl]ethyl}-4-methylpiperazine

IUPAC name

1-{2-[1-(3-methoxybenzoyl)piperidin-2-yl]ethyl}-4-methylpiperazine

SMILES

CN1CCN(CCC(CCCC2)N2C(c2cc(OC)ccc2)=O)CC1

InChI

InChI=1S/C20H31N3O2/c1-21-12-14-22(15-13-21)11-9-18-7-3-4-10-23(18)20(24)17-6-5-8-19(16-17)25-2/h5-6,8,16,18H,3-4,7,9-15H2,1-2H3/t18-/m1/s1

InChI Key

XHGRCMMAUSKFOX-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27623472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.152

Distribution Coefficient, logD

1.337

Water Solubility, LogSw

-2.45

Polar Surface Area

31.264

Acid Dissociation Constant (pKa)

27.04

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

T802-0298 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T802-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T802-0298?
Check Price and Availability of T802-0298, 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 T802-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T802-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T802-0298
  • 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 T802-0298 available by request