D537-0549 Screening compound: methyl 4-[1-(3-propoxyquinoxalin-2-yl)piperidine-3-amido]benzoate

D537-0549 Screening compound: methyl 4-[1-(3-propoxyquinoxalin-2-yl)piperidine-3-amido]benzoate
D537-0549 Screening compound: methyl 4-[1-(3-propoxyquinoxalin-2-yl)piperidine-3-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D537-0549
methyl 4-[1-(3-propoxyquinoxalin-2-yl)piperidine-3-amido]benzoate

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

D537-0549

Molecular Formula

C25H28N4O4 (C25 H28 N4 O4)

Compound Name

methyl 4-[1-(3-propoxyquinoxalin-2-yl)piperidine-3-amido]benzoate

IUPAC name

methyl 4-[1-(3-propoxyquinoxalin-2-yl)piperidine-3-amido]benzoate

SMILES

CCCOc1nc2ccccc2nc1N(CCC1)CC1C(Nc(cc1)ccc1C(OC)=O)=O

InChI

InChI=1S/C25H28N4O4/c1-3-15-33-24-22(27-20-8-4-5-9-21(20)28-24)29-14-6-7-18(16-29)23(30)26-19-12-10-17(11-13-19)25(31)32-2/h4-5,8-13,18H,3,6-7,14-16H2,1-2H3,(H,26,30)/t18-/m0/s1

InChI Key

UDUGRXPYGXAGIW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27591868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.840

Distribution Coefficient, logD

4.839

Water Solubility, LogSw

-4.54

Polar Surface Area

72.931

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D537-0549 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D537-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D537-0549?
Check Price and Availability of D537-0549, 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 D537-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D537-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D537-0549
  • 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 D537-0549 available by request