D388-0687 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-3-methylbutanamide

D388-0687 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-3-methylbutanamide
D388-0687 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-0687
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-3-methylbutanamide

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

D388-0687

Molecular Formula

C17H28N2OS (C17 H28 N2 OS)

Compound Name

N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-3-methylbutanamide

IUPAC name

N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-3-methylbutanamide

SMILES

CC(C)CC(NCC(c1cccs1)N1CCCCCC1)=O

InChI

InChI=1S/C17H28N2OS/c1-14(2)12-17(20)18-13-15(16-8-7-11-21-16)19-9-5-3-4-6-10-19/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3,(H,18,20)/t15-/m0/s1

InChI Key

FLXUPPSIEPRNGJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD12916049

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

308.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.195

Distribution Coefficient, logD

2.670

Water Solubility, LogSw

-3.28

Polar Surface Area

29.049

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.60

D388-0687 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D388-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-0687?
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What is the minimum amount of D388-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-0687
  • 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 D388-0687 available by request