D388-0700 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-propoxybenzamide

D388-0700 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-propoxybenzamide
D388-0700 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-0700
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-propoxybenzamide

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

D388-0700

Molecular Formula

C22H30N2O2S (C22 H30 N2 O2 S)

Compound Name

N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-propoxybenzamide

IUPAC name

N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-propoxybenzamide

SMILES

CCCOc(cccc1)c1C(NCC(c1cccs1)N1CCCCCC1)=O

InChI

InChI=1S/C22H30N2O2S/c1-2-15-26-20-11-6-5-10-18(20)22(25)23-17-19(21-12-9-16-27-21)24-13-7-3-4-8-14-24/h5-6,9-12,16,19H,2-4,7-8,13-15,17H2,1H3,(H,23,25)/t19-/m0/s1

InChI Key

MBMBJOUFZLAVSQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD12916035

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

386.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.796

Distribution Coefficient, logD

4.647

Water Solubility, LogSw

-4.45

Polar Surface Area

36.495

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D388-0700 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D388-0700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-0700?
Check Price and Availability of D388-0700, 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 D388-0700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-0700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-0700
  • 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 D388-0700 available by request