G637-0618 Screening compound: N-benzyl-N-ethyl-1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide

G637-0618 Screening compound: N-benzyl-N-ethyl-1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide
G637-0618 Screening compound: N-benzyl-N-ethyl-1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G637-0618
N-benzyl-N-ethyl-1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-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

G637-0618

Molecular Formula

C28H33N3O4S (C28 H33 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(Cc1ccccc1)C(C(CC1)CCN1S(c1c(/C=C/c2ccc(C)cc2)onc1C)(=O)=O)=O

InChI

InChI=1S/C28H33N3O4S/c1-4-30(20-24-8-6-5-7-9-24)28(32)25-16-18-31(19-17-25)36(33,34)27-22(3)29-35-26(27)15-14-23-12-10-21(2)11-13-23/h5-15,25H,4,16-20H2,1-3H3

InChI Key

GTMUVDHQWFUONY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15024208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.494

Distribution Coefficient, logD

4.494

Water Solubility, LogSw

-4.19

Polar Surface Area

69.401

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

G637-0618 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

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 G637-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G637-0618?
Check Price and Availability of G637-0618, 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 G637-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G637-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G637-0618
  • 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 G637-0618 available by request