D388-0731 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]adamantane-1-carboxamide

D388-0731 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]adamantane-1-carboxamide
D388-0731 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-0731
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]adamantane-1-carboxamide

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

D388-0731

Molecular Formula

C23H34N2OS (C23 H34 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1(CC(C2)C3)CC3CC2C1)NCC(c1cccs1)N1CCCCCC1

InChI

InChI=1S/C23H34N2OS/c26-22(23-13-17-10-18(14-23)12-19(11-17)15-23)24-16-20(21-6-5-9-27-21)25-7-3-1-2-4-8-25/h5-6,9,17-20H,1-4,7-8,10-16H2,(H,24,26)/t17?,18?,19?,20-,23?/m0/s1

InChI Key

DHCXDGKSHZTKOB-QSVDNLTKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

386.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.202

Distribution Coefficient, logD

4.551

Water Solubility, LogSw

-5.20

Polar Surface Area

29.024

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.30

D388-0731 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

GABA Library (7115 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D388-0731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-0731?
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What is the minimum amount of D388-0731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-0731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-0731
  • 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 D388-0731 available by request