G637-0477 Screening compound: ethyl 3-[1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-amido]benzoate

G637-0477 Screening compound: ethyl 3-[1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-amido]benzoate
G637-0477 Screening compound: ethyl 3-[1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G637-0477
ethyl 3-[1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-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

G637-0477

Molecular Formula

C28H31N3O6S (C28 H31 N3 O6 S)

Compound Name

ethyl 3-[1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-amido]benzoate

IUPAC name

ethyl 3-[1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-12-oxazol-4-yl}sulfonyl)piperidine-4-amido]benzoate

SMILES

CCOC(c1cccc(NC(C(CC2)CCN2S(c2c(/C=C/c3ccc(C)cc3)onc2C)(=O)=O)=O)c1)=O

InChI

InChI=1S/C28H31N3O6S/c1-4-36-28(33)23-6-5-7-24(18-23)29-27(32)22-14-16-31(17-15-22)38(34,35)26-20(3)30-37-25(26)13-12-21-10-8-19(2)9-11-21/h5-13,18,22H,4,14-17H2,1-3H3,(H,29,32)

InChI Key

QZLZFYXMHYOTFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15024104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.754

Distribution Coefficient, logD

4.754

Water Solubility, LogSw

-4.42

Polar Surface Area

97.310

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

G637-0477 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G637-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G637-0477?
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What is the minimum amount of G637-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G637-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G637-0477
  • 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 G637-0477 available by request