S618-1038 Screening compound: N-{[3-(dimethylamino)-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl}cyclopropanecarboxamide

S618-1038 Screening compound: N-{[3-(dimethylamino)-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl}cyclopropanecarboxamide
S618-1038 Screening compound: N-{[3-(dimethylamino)-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S618-1038
N-{[3-(dimethylamino)-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl}cyclopropanecarboxamide

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

S618-1038

Molecular Formula

C18H29N3O2 (C18 H29 N3 O2)

Compound Name

N-{[3-(dimethylamino)-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl}cyclopropanecarboxamide

IUPAC name

N-{[(3S4R)-3-(dimethylamino)-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl}cyclopropanecarboxamide

SMILES

Cc1ccc(CN(CC[C@H]2CNC(C3CC3)=O)C[C@@H]2N(C)C)o1

InChI

InChI=1S/C18H29N3O2/c1-13-4-7-16(23-13)11-21-9-8-15(17(12-21)20(2)3)10-19-18(22)14-5-6-14/h4,7,14-15,17H,5-6,8-12H2,1-3H3,(H,19,22)/t15-,17-/m0/s1

InChI Key

HGGXDPJSAVEAKG-RDJZCZTQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.618

Distribution Coefficient, logD

-0.267

Water Solubility, LogSw

-2.14

Polar Surface Area

38.015

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

9.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

72.22

S618-1038 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S618-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S618-1038?
Check Price and Availability of S618-1038, 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 S618-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S618-1038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S618-1038
  • 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 S618-1038 available by request