T956-0086 Screening compound: 1-(propan-2-yl)-5-[7-(pyridine-2-carbonyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]pyrrolidin-3-ol

T956-0086 Screening compound: 1-(propan-2-yl)-5-[7-(pyridine-2-carbonyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]pyrrolidin-3-ol
T956-0086 Screening compound: 1-(propan-2-yl)-5-[7-(pyridine-2-carbonyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]pyrrolidin-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound T956-0086
1-(propan-2-yl)-5-[7-(pyridine-2-carbonyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]pyrrolidin-3-ol

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

T956-0086

Molecular Formula

C19H26N6O2 (C19 H26 N6 O2)

Compound Name

1-(propan-2-yl)-5-[7-(pyridine-2-carbonyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]pyrrolidin-3-ol

IUPAC name

(3R5S)-1-(propan-2-yl)-5-[7-(pyridine-2-carbonyl)-5H6H7H8H9H-[124]triazolo[43-d][14]diazepin-3-yl]pyrrolidin-3-ol

SMILES

CC(C)N(C[C@@H](C1)O)[C@@H]1c1nnc(CC2)n1CCN2C(c1ncccc1)=O

InChI

InChI=1S/C19H26N6O2/c1-13(2)25-12-14(26)11-16(25)18-22-21-17-6-8-23(9-10-24(17)18)19(27)15-5-3-4-7-20-15/h3-5,7,13-14,16,26H,6,8-12H2,1-2H3/t14-,16-/m0/s1

InChI Key

YTESEPQLZSXTHS-HOCLYGCPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.042

Distribution Coefficient, logD

-0.472

Water Solubility, LogSw

-1.20

Polar Surface Area

70.538

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

T956-0086 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Natural-Product-Based Library (3730 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Structure:
  • Pool
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T956-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T956-0086?
Check Price and Availability of T956-0086, 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 T956-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T956-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T956-0086
  • 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 T956-0086 available by request