D388-0451 Screening compound: N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]adamantane-1-carboxamide

D388-0451 Screening compound: N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]adamantane-1-carboxamide
D388-0451 Screening compound: N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-0451
N-[2-(morpholin-4-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

D388-0451

Molecular Formula

C21H30N2O2S (C21 H30 N2 O2 S)

Compound Name

N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]adamantane-1-carboxamide

IUPAC name

N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]adamantane-1-carboxamide

SMILES

O=C(C1(CC(C2)C3)CC3CC2C1)NCC(c1cccs1)N1CCOCC1

InChI

InChI=1S/C21H30N2O2S/c24-20(21-11-15-8-16(12-21)10-17(9-15)13-21)22-14-18(19-2-1-7-26-19)23-3-5-25-6-4-23/h1-2,7,15-18H,3-6,8-14H2,(H,22,24)/t15?,16?,17?,18-,21?/m0/s1

InChI Key

NYCPTIIIIXDXPX-QQABJKMWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

374.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.707

Distribution Coefficient, logD

3.701

Water Solubility, LogSw

-4.04

Polar Surface Area

36.601

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.20

D388-0451 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D388-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-0451?
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What is the minimum amount of D388-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-0451
  • 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 D388-0451 available by request