T404-0891 Screening compound: (4-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL-1,4-DIAZEPAN-1-YL)[5-(TRIFLUOROMETHYL)-2-THIENYL]METHANONE

T404-0891 Screening compound: (4-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL-1,4-DIAZEPAN-1-YL)[5-(TRIFLUOROMETHYL)-2-THIENYL]METHANONE
T404-0891 Screening compound: (4-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL-1,4-DIAZEPAN-1-YL)[5-(TRIFLUOROMETHYL)-2-THIENYL]METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T404-0891
(4-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL-1,4-DIAZEPAN-1-YL)[5-(TRIFLUOROMETHYL)-2-THIENYL]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

T404-0891

Molecular Formula

C17H16F3N5OS (C17 H16 F3 N5 OS)

Compound Name

(4-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL-1,4-DIAZEPAN-1-YL)[5-(TRIFLUOROMETHYL)-2-THIENYL]METHANONE

IUPAC name

n/a

SMILES

O=C(c1ccc(C(F)(F)F)s1)N(CCC1)CCN1c1nnc2n1cccc2

InChI

InChI=1S/C17H16F3N5OS/c18-17(19,20)13-6-5-12(27-13)15(26)23-7-3-8-24(11-10-23)16-22-21-14-4-1-2-9-25(14)16/h1-2,4-6,9H,3,7-8,10-11H2

InChI Key

LFGPQGBWLMATBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27619774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.041

Distribution Coefficient, logD

3.041

Water Solubility, LogSw

-3.12

Polar Surface Area

42.647

Acid Dissociation Constant (pKa)

22.81

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

T404-0891 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Proteases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T404-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T404-0891?
Check Price and Availability of T404-0891, 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 T404-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T404-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T404-0891
  • 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 T404-0891 available by request