S911-0433 Screening compound: N~1~-(4-methoxybenzyl)-2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide

S911-0433 Screening compound: N~1~-(4-methoxybenzyl)-2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide
S911-0433 Screening compound: N~1~-(4-methoxybenzyl)-2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S911-0433
N~1~-(4-methoxybenzyl)-2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[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

S911-0433

Molecular Formula

C20H28N4O4 (C20 H28 N4 O4)

Compound Name

N~1~-(4-methoxybenzyl)-2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide

IUPAC name

2-[2-(2-methoxyethyl)-3-oxo-2H3H5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl]-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

COCCN1N=C(CCC(CC(NCc(cc2)ccc2OC)=O)CC2)N2C1=O

InChI

InChI=1S/C20H28N4O4/c1-27-12-11-24-20(26)23-10-9-15(5-8-18(23)22-24)13-19(25)21-14-16-3-6-17(28-2)7-4-16/h3-4,6-7,15H,5,8-14H2,1-2H3,(H,21,25)/t15-/m1/s1

InChI Key

UADLTSZBZACDOI-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.753

Distribution Coefficient, logD

1.753

Water Solubility, LogSw

-2.17

Polar Surface Area

73.852

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-4.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

S911-0433 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S911-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S911-0433?
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What is the minimum amount of S911-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S911-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S911-0433
  • 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 S911-0433 available by request