D388-0332 Screening compound: N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-ethylbutanamide

D388-0332 Screening compound: N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-ethylbutanamide
D388-0332 Screening compound: N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-ethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-0332
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-ethylbutanamide

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

D388-0332

Molecular Formula

C20H31ClN2O (C20 H31 ClN2 O)

Compound Name

N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-ethylbutanamide

IUPAC name

N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-ethylbutanamide

SMILES

CCC(CC)C(NCC(c(cccc1)c1Cl)N1CCCCCC1)=O

InChI

InChI=1S/C20H31ClN2O/c1-3-16(4-2)20(24)22-15-19(17-11-7-8-12-18(17)21)23-13-9-5-6-10-14-23/h7-8,11-12,16,19H,3-6,9-10,13-15H2,1-2H3,(H,22,24)/t19-/m0/s1

InChI Key

MSUUIDWSCUEUBI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD12916890

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

350.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.842

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-4.77

Polar Surface Area

28.244

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

D388-0332 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with D388-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-0332?
Check Price and Availability of D388-0332, 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 D388-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-0332
  • 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 D388-0332 available by request