S911-0247 Screening compound: N-cyclopentyl-2-{3-oxo-2-[(pyridin-3-yl)methyl]-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}acetamide

S911-0247 Screening compound: N-cyclopentyl-2-{3-oxo-2-[(pyridin-3-yl)methyl]-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}acetamide
S911-0247 Screening compound: N-cyclopentyl-2-{3-oxo-2-[(pyridin-3-yl)methyl]-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S911-0247
N-cyclopentyl-2-{3-oxo-2-[(pyridin-3-yl)methyl]-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}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

S911-0247

Molecular Formula

C20H27N5O2 (C20 H27 N5 O2)

Compound Name

N-cyclopentyl-2-{3-oxo-2-[(pyridin-3-yl)methyl]-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}acetamide

IUPAC name

N-cyclopentyl-2-{3-oxo-2-[(pyridin-3-yl)methyl]-2H3H5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}acetamide

SMILES

O=C(CC(CCC1=NN2Cc3cnccc3)CCN1C2=O)NC1CCCC1

InChI

InChI=1S/C20H27N5O2/c26-19(22-17-5-1-2-6-17)12-15-7-8-18-23-25(20(27)24(18)11-9-15)14-16-4-3-10-21-13-16/h3-4,10,13,15,17H,1-2,5-9,11-12,14H2,(H,22,26)/t15-/m1/s1

InChI Key

QZVQEBVVCQVTLF-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD31958423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.137

Distribution Coefficient, logD

2.137

Water Solubility, LogSw

-2.17

Polar Surface Area

67.325

Acid Dissociation Constant (pKa)

15.13

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S911-0247 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S911-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S911-0247?
Check Price and Availability of S911-0247, 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 S911-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S911-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S911-0247
  • 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 S911-0247 available by request