G637-3469 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-({5-[(1E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide

G637-3469 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-({5-[(1E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide
G637-3469 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-({5-[(1E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G637-3469
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-({5-[(1E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-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

G637-3469

Molecular Formula

C26H25F2N3O6S (C26 H25 F2 N3 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-({5-[(1E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-({5-[(1E)-2-(24-difluorophenyl)ethenyl]-3-methyl-12-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide

SMILES

Cc1noc(/C=C/c(ccc(F)c2)c2F)c1S(N(CC1)CCC1C(NCc(cc1)cc2c1OCO2)=O)(=O)=O

InChI

InChI=1S/C26H25F2N3O6S/c1-16-25(23(37-30-16)7-4-18-3-5-20(27)13-21(18)28)38(33,34)31-10-8-19(9-11-31)26(32)29-14-17-2-6-22-24(12-17)36-15-35-22/h2-7,12-13,19H,8-11,14-15H2,1H3,(H,29,32)

InChI Key

PDJAPCZOIXCQJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15024655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.353

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.46

Polar Surface Area

94.994

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

G637-3469 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G637-3469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G637-3469?
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What is the minimum amount of G637-3469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G637-3469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G637-3469
  • 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 G637-3469 available by request