G747-0404 Screening compound: ethyl 1-[(3-fluorophenyl)({4-hydroxy-6-methyl-2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydropyridin-3-yl})methyl]piperidine-4-carboxylate

G747-0404 Screening compound: ethyl 1-[(3-fluorophenyl)({4-hydroxy-6-methyl-2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydropyridin-3-yl})methyl]piperidine-4-carboxylate
G747-0404 Screening compound: ethyl 1-[(3-fluorophenyl)({4-hydroxy-6-methyl-2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydropyridin-3-yl})methyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G747-0404
ethyl 1-[(3-fluorophenyl)({4-hydroxy-6-methyl-2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydropyridin-3-yl})methyl]piperidine-4-carboxylate

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

G747-0404

Molecular Formula

C27H30FN3O4 (C27 H30 FN3 O4)

Compound Name

ethyl 1-[(3-fluorophenyl)({4-hydroxy-6-methyl-2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydropyridin-3-yl})methyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[(3-fluorophenyl)({4-hydroxy-6-methyl-2-oxo-1-[(pyridin-2-yl)methyl]-12-dihydropyridin-3-yl})methyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c1cccc(F)c1)C(C(N(Cc1ncccc1)C(C)=C1)=O)=C1O)=O

InChI

InChI=1S/C27H30FN3O4/c1-3-35-27(34)19-10-13-30(14-11-19)25(20-7-6-8-21(28)16-20)24-23(32)15-18(2)31(26(24)33)17-22-9-4-5-12-29-22/h4-9,12,15-16,19,25,32H,3,10-11,13-14,17H2,1-2H3/t25-/m0/s1

InChI Key

YGSSYTSWNXNOFF-VWLOTQADSA-N

MDL Number (MFCD)

MFCD09237624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.274

Distribution Coefficient, logD

1.366

Water Solubility, LogSw

-3.26

Polar Surface Area

63.655

Acid Dissociation Constant (pKa)

5.50

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

G747-0404 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G747-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G747-0404?
Check Price and Availability of G747-0404, 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 G747-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G747-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G747-0404
  • 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 G747-0404 available by request