P392-0063 Screening compound: 2-{[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyridine-3-carboxamide

P392-0063 Screening compound: 2-{[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyridine-3-carboxamide
P392-0063 Screening compound: 2-{[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P392-0063
2-{[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyridine-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

P392-0063

Molecular Formula

C17H18BrN3O4 (C17 H18 BrN3 O4)

Compound Name

2-{[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyridine-3-carboxamide

IUPAC name

2-{[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]oxy}-NN-dimethylpyridine-3-carboxamide

SMILES

CN(C)C(c1cccnc1OC(CC1)CN1C(c(o1)ccc1Br)=O)=O

InChI

InChI=1S/C17H18BrN3O4/c1-20(2)16(22)12-4-3-8-19-15(12)24-11-7-9-21(10-11)17(23)13-5-6-14(18)25-13/h3-6,8,11H,7,9-10H2,1-2H3/t11-/m1/s1

InChI Key

WBMLJCRBFMWWKN-LLVKDONJSA-N

MDL Number (MFCD)

MFCD28994551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.217

Distribution Coefficient, logD

1.217

Water Solubility, LogSw

-1.97

Polar Surface Area

58.180

Acid Dissociation Constant (pKa)

25.15

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

P392-0063 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P392-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P392-0063?
Check Price and Availability of P392-0063, 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 P392-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P392-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P392-0063
  • 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 P392-0063 available by request