S620-1622 Screening compound: 2-(dimethylamino)-N~1~-[(3S,4S)-1-(3-furylmethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]acetamide

S620-1622 Screening compound: 2-(dimethylamino)-N~1~-[(3S,4S)-1-(3-furylmethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]acetamide
S620-1622 Screening compound: 2-(dimethylamino)-N~1~-[(3S,4S)-1-(3-furylmethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S620-1622
2-(dimethylamino)-N~1~-[(3S,4S)-1-(3-furylmethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]acetamide

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

S620-1622

Molecular Formula

C17H26N6O2 (C17 H26 N6 O2)

Compound Name

2-(dimethylamino)-N~1~-[(3S,4S)-1-(3-furylmethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]acetamide

IUPAC name

2-(dimethylamino)-N-[(3S4S)-1-[(furan-3-yl)methyl]-4-(3-methyl-1H-124-triazol-5-yl)piperidin-3-yl]acetamide

SMILES

Cc1n[nH]c([C@H](CCN(Cc2cocc2)C2)[C@H]2NC(CN(C)C)=O)n1

InChI

InChI=1S/C17H26N6O2/c1-12-18-17(21-20-12)14-4-6-23(8-13-5-7-25-11-13)9-15(14)19-16(24)10-22(2)3/h5,7,11,14-15H,4,6,8-10H2,1-3H3,(H,19,24)(H,18,20,21)/t14-,15+/m1/s1

InChI Key

JTMPGMBZJLSQQZ-CABCVRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.441

Distribution Coefficient, logD

-1.783

Water Solubility, LogSw

-2.04

Polar Surface Area

73.387

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

8.72

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.82

S620-1622 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S620-1622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S620-1622?
Check Price and Availability of S620-1622, 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 S620-1622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S620-1622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S620-1622
  • 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 S620-1622 available by request