S774-0468 Screening compound: [3-(4-fluorophenyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecin-11-yl](1-methyl-1H-imidazol-2-yl)methanone

S774-0468 Screening compound: [3-(4-fluorophenyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecin-11-yl](1-methyl-1H-imidazol-2-yl)methanone
S774-0468 Screening compound: [3-(4-fluorophenyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecin-11-yl](1-methyl-1H-imidazol-2-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S774-0468
[3-(4-fluorophenyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecin-11-yl](1-methyl-1H-imidazol-2-yl)methanone

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

S774-0468

Molecular Formula

C21H25FN6O (C21 H25 FN6 O)

Compound Name

[3-(4-fluorophenyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecin-11-yl](1-methyl-1H-imidazol-2-yl)methanone

IUPAC name

n/a

SMILES

Cn1c(C(N2CCc3nnc(-c(cc4)ccc4F)n3CCCCCC2)=O)ncc1

InChI

InChI=1S/C21H25FN6O/c1-26-15-11-23-20(26)21(29)27-12-4-2-3-5-13-28-18(10-14-27)24-25-19(28)16-6-8-17(22)9-7-16/h6-9,11,15H,2-5,10,12-14H2,1H3

InChI Key

DOZOWFXQVYMJEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30464320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.226

Distribution Coefficient, logD

2.226

Water Solubility, LogSw

-2.34

Polar Surface Area

54.056

Acid Dissociation Constant (pKa)

20.13

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

S774-0468 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S774-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S774-0468?
Check Price and Availability of S774-0468, 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 S774-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S774-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S774-0468
  • 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 S774-0468 available by request