T404-0881 Screening compound: 1-{2-methyl-5-[(4-[1,2,4]triazolo[4,3-a]pyridin-3-yl-1,4-diazepan-1-yl)carbonyl]phenyl}-2-pyrrolidinone

T404-0881 Screening compound: 1-{2-methyl-5-[(4-[1,2,4]triazolo[4,3-a]pyridin-3-yl-1,4-diazepan-1-yl)carbonyl]phenyl}-2-pyrrolidinone
T404-0881 Screening compound: 1-{2-methyl-5-[(4-[1,2,4]triazolo[4,3-a]pyridin-3-yl-1,4-diazepan-1-yl)carbonyl]phenyl}-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound T404-0881
1-{2-methyl-5-[(4-[1,2,4]triazolo[4,3-a]pyridin-3-yl-1,4-diazepan-1-yl)carbonyl]phenyl}-2-pyrrolidinone

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

T404-0881

Molecular Formula

C23H26N6O2 (C23 H26 N6 O2)

Compound Name

1-{2-methyl-5-[(4-[1,2,4]triazolo[4,3-a]pyridin-3-yl-1,4-diazepan-1-yl)carbonyl]phenyl}-2-pyrrolidinone

IUPAC name

n/a

SMILES

Cc(ccc(C(N(CCC1)CCN1c1nnc2n1cccc2)=O)c1)c1N(CCC1)C1=O

InChI

InChI=1S/C23H26N6O2/c1-17-8-9-18(16-19(17)28-13-4-7-21(28)30)22(31)26-10-5-11-27(15-14-26)23-25-24-20-6-2-3-12-29(20)23/h2-3,6,8-9,12,16H,4-5,7,10-11,13-15H2,1H3

InChI Key

QPVNGWZXARAEME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27619773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.989

Distribution Coefficient, logD

1.989

Water Solubility, LogSw

-2.26

Polar Surface Area

58.145

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

T404-0881 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 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 T404-0881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T404-0881?
Check Price and Availability of T404-0881, 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 T404-0881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T404-0881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T404-0881
  • 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 T404-0881 available by request