T956-0133 Screening compound: (1,5-dimethyl-1H-pyrazol-3-yl){3-[(2S,4R)-4-hydroxy-1-isopropyltetrahydro-1H-pyrrol-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone

T956-0133 Screening compound: (1,5-dimethyl-1H-pyrazol-3-yl){3-[(2S,4R)-4-hydroxy-1-isopropyltetrahydro-1H-pyrrol-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone
T956-0133 Screening compound: (1,5-dimethyl-1H-pyrazol-3-yl){3-[(2S,4R)-4-hydroxy-1-isopropyltetrahydro-1H-pyrrol-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T956-0133
(1,5-dimethyl-1H-pyrazol-3-yl){3-[(2S,4R)-4-hydroxy-1-isopropyltetrahydro-1H-pyrrol-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-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

T956-0133

Molecular Formula

C19H29N7O2 (C19 H29 N7 O2)

Compound Name

(1,5-dimethyl-1H-pyrazol-3-yl){3-[(2S,4R)-4-hydroxy-1-isopropyltetrahydro-1H-pyrrol-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone

IUPAC name

(3R5S)-5-[7-(15-dimethyl-1H-pyrazole-3-carbonyl)-5H6H7H8H9H-[124]triazolo[43-d][14]diazepin-3-yl]-1-(propan-2-yl)pyrrolidin-3-ol

SMILES

CC(C)N(C[C@@H](C1)O)[C@@H]1c1nnc(CC2)n1CCN2C(c1nn(C)c(C)c1)=O

InChI

InChI=1S/C19H29N7O2/c1-12(2)26-11-14(27)10-16(26)18-21-20-17-5-6-24(7-8-25(17)18)19(28)15-9-13(3)23(4)22-15/h9,12,14,16,27H,5-8,10-11H2,1-4H3/t14-,16-/m0/s1

InChI Key

RCUJSJLYSLNBFT-HOCLYGCPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.368

Distribution Coefficient, logD

-0.882

Water Solubility, LogSw

-0.60

Polar Surface Area

75.977

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.42

T956-0133 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

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

Natural-Product-Based Library (3730 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T956-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T956-0133?
Check Price and Availability of T956-0133, 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 T956-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T956-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T956-0133
  • 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 T956-0133 available by request