S618-1829 Screening compound: 1-{[3-(dimethylamino)-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl}-3-methylurea

S618-1829 Screening compound: 1-{[3-(dimethylamino)-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl}-3-methylurea
S618-1829 Screening compound: 1-{[3-(dimethylamino)-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl}-3-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S618-1829
1-{[3-(dimethylamino)-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl}-3-methylurea

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

S618-1829

Molecular Formula

C16H28N4OS (C16 H28 N4 OS)

Compound Name

1-{[3-(dimethylamino)-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl}-3-methylurea

IUPAC name

1-{[(3S4R)-3-(dimethylamino)-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl}-3-methylurea

SMILES

Cc1c(CN(CC[C@H]2CNC(NC)=O)C[C@@H]2N(C)C)scc1

InChI

InChI=1S/C16H28N4OS/c1-12-6-8-22-15(12)11-20-7-5-13(9-18-16(21)17-2)14(10-20)19(3)4/h6,8,13-14H,5,7,9-11H2,1-4H3,(H2,17,18,21)/t13-,14+/m1/s1

InChI Key

AEZPFVOKBIDHBE-KGLIPLIRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.080

Distribution Coefficient, logD

-0.360

Water Solubility, LogSw

-2.17

Polar Surface Area

42.203

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

8.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.75

S618-1829 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S618-1829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S618-1829?
Check Price and Availability of S618-1829, 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 S618-1829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S618-1829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S618-1829
  • 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 S618-1829 available by request