S831-1800 Screening compound: 2-{[1-(1-methylcyclohexanecarbonyl)-4-(pyridin-2-yl)pyrrolidin-3-yl]methoxy}acetamide

S831-1800 Screening compound: 2-{[1-(1-methylcyclohexanecarbonyl)-4-(pyridin-2-yl)pyrrolidin-3-yl]methoxy}acetamide
S831-1800 Screening compound: 2-{[1-(1-methylcyclohexanecarbonyl)-4-(pyridin-2-yl)pyrrolidin-3-yl]methoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S831-1800
2-{[1-(1-methylcyclohexanecarbonyl)-4-(pyridin-2-yl)pyrrolidin-3-yl]methoxy}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

S831-1800

Molecular Formula

C20H29N3O3 (C20 H29 N3 O3)

Compound Name

2-{[1-(1-methylcyclohexanecarbonyl)-4-(pyridin-2-yl)pyrrolidin-3-yl]methoxy}acetamide

IUPAC name

2-{[(3S4S)-1-(1-methylcyclohexanecarbonyl)-4-(pyridin-2-yl)pyrrolidin-3-yl]methoxy}acetamide

SMILES

CC1(CCCCC1)C(N(C[C@@H]1COCC(N)=O)C[C@@H]1c1ncccc1)=O

InChI

InChI=1S/C20H29N3O3/c1-20(8-4-2-5-9-20)19(25)23-11-15(13-26-14-18(21)24)16(12-23)17-7-3-6-10-22-17/h3,6-7,10,15-16H,2,4-5,8-9,11-14H2,1H3,(H2,21,24)/t15-,16+/m0/s1

InChI Key

ZCSWERPPUWTPIL-JKSUJKDBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.323

Distribution Coefficient, logD

1.322

Water Solubility, LogSw

-2.25

Polar Surface Area

67.910

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.00

S831-1800 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S831-1800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S831-1800?
Check Price and Availability of S831-1800, 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 S831-1800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S831-1800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S831-1800
  • 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 S831-1800 available by request