P809-1005 Screening compound: N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-2H-1,3-benzodioxole-5-carboxamide

P809-1005 Screening compound: N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
P809-1005 Screening compound: N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P809-1005
N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-2H-1,3-benzodioxole-5-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

P809-1005

Molecular Formula

C19H18N4O3S (C19 H18 N4 O3 S)

Compound Name

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

IUPAC name

N-{1-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)NC(CC1)CN1c1cc(-c2cccs2)n[nH]1

InChI

InChI=1S/C19H18N4O3S/c24-19(12-3-4-15-16(8-12)26-11-25-15)20-13-5-6-23(10-13)18-9-14(21-22-18)17-2-1-7-27-17/h1-4,7-9,13H,5-6,10-11H2,(H,20,24)(H,21,22)/t13-/m1/s1

InChI Key

JHHNYKAAPBHIHZ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD28998961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.168

Distribution Coefficient, logD

3.168

Water Solubility, LogSw

-3.47

Polar Surface Area

68.024

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

P809-1005 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P809-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P809-1005?
Check Price and Availability of P809-1005, 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 P809-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P809-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P809-1005
  • 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 P809-1005 available by request