P809-1085 Screening compound: 1-methyl-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-1H-indazole-3-carboxamide

P809-1085 Screening compound: 1-methyl-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-1H-indazole-3-carboxamide
P809-1085 Screening compound: 1-methyl-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-1H-indazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P809-1085
1-methyl-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-1H-indazole-3-carboxamide

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

P809-1085

Molecular Formula

C20H20N6OS (C20 H20 N6 OS)

Compound Name

1-methyl-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-1H-indazole-3-carboxamide

IUPAC name

1-methyl-N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-1H-indazole-3-carboxamide

SMILES

Cn1nc(C(NC(CC2)CN2c2cc(-c3cccs3)n[nH]2)=O)c2c1cccc2

InChI

InChI=1S/C20H20N6OS/c1-25-16-6-3-2-5-14(16)19(24-25)20(27)21-13-8-9-26(12-13)18-11-15(22-23-18)17-7-4-10-28-17/h2-7,10-11,13H,8-9,12H2,1H3,(H,21,27)(H,22,23)/t13-/m1/s1

InChI Key

YJZCVRIHEFNVCF-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD28997874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.805

Distribution Coefficient, logD

2.805

Water Solubility, LogSw

-3.32

Polar Surface Area

65.444

Acid Dissociation Constant (pKa)

15.66

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

P809-1085 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P809-1085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P809-1085?
Check Price and Availability of P809-1085, 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 P809-1085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P809-1085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P809-1085
  • 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 P809-1085 available by request