3701-0185 Screening compound: 1-{4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl}-2,2-diphenylethan-1-one

3701-0185 Screening compound: 1-{4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl}-2,2-diphenylethan-1-one
3701-0185 Screening compound: 1-{4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl}-2,2-diphenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3701-0185
1-{4-[(2,5-dimethoxyphenyl)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

3701-0185

Molecular Formula

C27H30N2O3 (C27 H30 N2 O3)

Compound Name

1-{4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl}-2,2-diphenylethan-1-one

IUPAC name

1-{4-[(25-dimethoxyphenyl)methyl]piperazin-1-yl}-22-diphenylethan-1-one

SMILES

COc(cc1)cc(CN(CC2)CCN2C(C(c2ccccc2)c2ccccc2)=O)c1OC

InChI

InChI=1S/C27H30N2O3/c1-31-24-13-14-25(32-2)23(19-24)20-28-15-17-29(18-16-28)27(30)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,26H,15-18,20H2,1-2H3

InChI Key

URWURDMAUGPJHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02177334

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.333

Distribution Coefficient, logD

3.733

Water Solubility, LogSw

-4.40

Polar Surface Area

35.330

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

3701-0185 in Drug Discovery

Included in Screening Libraries

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:
  • 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 3701-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3701-0185?
Check Price and Availability of 3701-0185, 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 3701-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3701-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3701-0185
  • 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 3701-0185 available by request