S774-0393 Screening compound: (2,4-dimethyl-1,3-thiazol-5-yl)[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]methanone

S774-0393 Screening compound: (2,4-dimethyl-1,3-thiazol-5-yl)[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]methanone
S774-0393 Screening compound: (2,4-dimethyl-1,3-thiazol-5-yl)[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]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S774-0393
(2,4-dimethyl-1,3-thiazol-5-yl)[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]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

S774-0393

Molecular Formula

C22H26FN5OS (C22 H26 FN5 OS)

Compound Name

(2,4-dimethyl-1,3-thiazol-5-yl)[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]methanone

IUPAC name

n/a

SMILES

Cc1c(C(N2CCc3nnc(-c(cc4)ccc4F)n3CCCCCC2)=O)sc(C)n1

InChI

InChI=1S/C22H26FN5OS/c1-15-20(30-16(2)24-15)22(29)27-12-5-3-4-6-13-28-19(11-14-27)25-26-21(28)17-7-9-18(23)10-8-17/h7-10H,3-6,11-14H2,1-2H3

InChI Key

CEIBFQLNQVCICZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30463814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.811

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-3.89

Polar Surface Area

52.108

Acid Dissociation Constant (pKa)

20.13

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

S774-0393 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S774-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S774-0393?
Check Price and Availability of S774-0393, 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 S774-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S774-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S774-0393
  • 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 S774-0393 available by request