3701-0287 Screening compound: 1-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}-2,2-diphenylethan-1-one

3701-0287 Screening compound: 1-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}-2,2-diphenylethan-1-one
3701-0287 Screening compound: 1-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}-2,2-diphenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3701-0287
1-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}-2,2-diphenylethan-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

3701-0287

Molecular Formula

C26H28N2O2 (C26 H28 N2 O2)

Compound Name

1-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}-2,2-diphenylethan-1-one

IUPAC name

1-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}-22-diphenylethan-1-one

SMILES

COc1cccc(CN(CC2)CCN2C(C(c2ccccc2)c2ccccc2)=O)c1

InChI

InChI=1S/C26H28N2O2/c1-30-24-14-8-9-21(19-24)20-27-15-17-28(18-16-27)26(29)25(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-14,19,25H,15-18,20H2,1H3

InChI Key

ZCTYFJJLBUDWTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02107404

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

400.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.303

Distribution Coefficient, logD

3.722

Water Solubility, LogSw

-4.40

Polar Surface Area

27.699

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

3701-0287 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

DGK Inhibitors Library (10558 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Kinases
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 3701-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3701-0287?
Check Price and Availability of 3701-0287, 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 3701-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3701-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3701-0287
  • 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 3701-0287 available by request