S617-0111 Screening compound: N~1~-[(3S,4S)-4-(hydroxymethyl)-1-(3-methylbutanoyl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide

S617-0111 Screening compound: N~1~-[(3S,4S)-4-(hydroxymethyl)-1-(3-methylbutanoyl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide
S617-0111 Screening compound: N~1~-[(3S,4S)-4-(hydroxymethyl)-1-(3-methylbutanoyl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S617-0111
N~1~-[(3S,4S)-4-(hydroxymethyl)-1-(3-methylbutanoyl)hexahydro-3-pyridinyl]-1-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

S617-0111

Molecular Formula

C15H26N2O3 (C15 H26 N2 O3)

Compound Name

N~1~-[(3S,4S)-4-(hydroxymethyl)-1-(3-methylbutanoyl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide

IUPAC name

N-[(3S4S)-4-(hydroxymethyl)-1-(3-methylbutanoyl)piperidin-3-yl]cyclopropanecarboxamide

SMILES

CC(C)CC(N(CC[C@H]1CO)C[C@@H]1NC(C1CC1)=O)=O

InChI

InChI=1S/C15H26N2O3/c1-10(2)7-14(19)17-6-5-12(9-18)13(8-17)16-15(20)11-3-4-11/h10-13,18H,3-9H2,1-2H3,(H,16,20)/t12-,13-/m0/s1

InChI Key

IIKYOXAMISEBBR-STQMWFEESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.871

Distribution Coefficient, logD

0.871

Water Solubility, LogSw

-1.21

Polar Surface Area

58.539

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

86.67

S617-0111 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S617-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S617-0111?
Check Price and Availability of S617-0111, 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 S617-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S617-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S617-0111
  • 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 S617-0111 available by request