D335-0774 Screening compound: 2-ethyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}butanamide

D335-0774 Screening compound: 2-ethyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}butanamide
D335-0774 Screening compound: 2-ethyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D335-0774
2-ethyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}butanamide

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

D335-0774

Molecular Formula

C18H35N3O (C18 H35 N3 O)

Compound Name

2-ethyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}butanamide

IUPAC name

2-ethyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}butanamide

SMILES

CCC(CC)C(NCC1(CCCCC1)N1CCN(C)CC1)=O

InChI

InChI=1S/C18H35N3O/c1-4-16(5-2)17(22)19-15-18(9-7-6-8-10-18)21-13-11-20(3)12-14-21/h16H,4-15H2,1-3H3,(H,19,22)

InChI Key

HRMJKXQBTZASSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12917514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.780

Distribution Coefficient, logD

2.326

Water Solubility, LogSw

-2.82

Polar Surface Area

31.633

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

94.40

D335-0774 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D335-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D335-0774?
Check Price and Availability of D335-0774, 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 D335-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D335-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D335-0774
  • 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 D335-0774 available by request