P201-0727 Screening compound: 1-ALLYL-6-[2-(3,5-DIMETHYL-4-ISOXAZOLYL)ETHYL]-1,6-DIHYDRO-7H-PYRROLO[2,3-C]PYRIDIN-7-ONE

P201-0727 Screening compound: 1-ALLYL-6-[2-(3,5-DIMETHYL-4-ISOXAZOLYL)ETHYL]-1,6-DIHYDRO-7H-PYRROLO[2,3-C]PYRIDIN-7-ONE
P201-0727 Screening compound: 1-ALLYL-6-[2-(3,5-DIMETHYL-4-ISOXAZOLYL)ETHYL]-1,6-DIHYDRO-7H-PYRROLO[2,3-C]PYRIDIN-7-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound P201-0727
1-ALLYL-6-[2-(3,5-DIMETHYL-4-ISOXAZOLYL)ETHYL]-1,6-DIHYDRO-7H-PYRROLO[2,3-C]PYRIDIN-7-ONE

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

P201-0727

Molecular Formula

C17H19N3O2 (C17 H19 N3 O2)

Compound Name

1-ALLYL-6-[2-(3,5-DIMETHYL-4-ISOXAZOLYL)ETHYL]-1,6-DIHYDRO-7H-PYRROLO[2,3-C]PYRIDIN-7-ONE

IUPAC name

n/a

SMILES

Cc1noc(C)c1CCN(C=Cc1c2n(CC=C)cc1)C2=O

InChI

InChI=1S/C17H19N3O2/c1-4-8-19-9-5-14-6-10-20(17(21)16(14)19)11-7-15-12(2)18-22-13(15)3/h4-6,9-10H,1,7-8,11H2,2-3H3

InChI Key

VDJPIODKBVMJAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22684312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.880

Distribution Coefficient, logD

1.880

Water Solubility, LogSw

-2.12

Polar Surface Area

39.925

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

P201-0727 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P201-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P201-0727?
Check Price and Availability of P201-0727, 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 P201-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P201-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P201-0727
  • 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 P201-0727 available by request