3701-0498 Screening compound: 1-(3-methylcyclohexyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

3701-0498 Screening compound: 1-(3-methylcyclohexyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
3701-0498 Screening compound: 1-(3-methylcyclohexyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3701-0498
1-(3-methylcyclohexyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

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

3701-0498

Molecular Formula

C21H34N2O3 (C21 H34 N2 O3)

Compound Name

1-(3-methylcyclohexyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

IUPAC name

1-(3-methylcyclohexyl)-4-[(345-trimethoxyphenyl)methyl]piperazine

SMILES

CC(CCC1)CC1N1CCN(Cc(cc2OC)cc(OC)c2OC)CC1

InChI

InChI=1S/C21H34N2O3/c1-16-6-5-7-18(12-16)23-10-8-22(9-11-23)15-17-13-19(24-2)21(26-4)20(14-17)25-3/h13-14,16,18H,5-12,15H2,1-4H3

InChI Key

FOBJMCDAWKXSBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02052937

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

362.51

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

3.042

Distribution Coefficient, logD

1.059

Water Solubility, LogSw

-3.19

Polar Surface Area

30.042

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

9.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

71.40

3701-0498 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 3701-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3701-0498?
Check Price and Availability of 3701-0498, 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 3701-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3701-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3701-0498
  • 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 3701-0498 available by request