S618-1445 Screening compound: N-{[3-(dimethylamino)-1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl}-2-methoxyacetamide

S618-1445 Screening compound: N-{[3-(dimethylamino)-1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl}-2-methoxyacetamide
S618-1445 Screening compound: N-{[3-(dimethylamino)-1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl}-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S618-1445
N-{[3-(dimethylamino)-1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl}-2-methoxyacetamide

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

S618-1445

Molecular Formula

C19H31N3O2 (C19 H31 N3 O2)

Compound Name

N-{[3-(dimethylamino)-1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl}-2-methoxyacetamide

IUPAC name

N-{[(3S4R)-3-(dimethylamino)-1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl}-2-methoxyacetamide

SMILES

Cc1cccc(CN(CC[C@H]2CNC(COC)=O)C[C@@H]2N(C)C)c1

InChI

InChI=1S/C19H31N3O2/c1-15-6-5-7-16(10-15)12-22-9-8-17(18(13-22)21(2)3)11-20-19(23)14-24-4/h5-7,10,17-18H,8-9,11-14H2,1-4H3,(H,20,23)/t17-,18-/m0/s1

InChI Key

KBXWZDRHFCUVDE-ROUUACIJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.239

Distribution Coefficient, logD

-0.441

Water Solubility, LogSw

-2.01

Polar Surface Area

38.711

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

9.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.20

S618-1445 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S618-1445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S618-1445?
Check Price and Availability of S618-1445, 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 S618-1445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S618-1445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S618-1445
  • 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 S618-1445 available by request