G856-0587 Screening compound: 4-[4-(4-bromobenzenesulfonyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]morpholine

G856-0587 Screening compound: 4-[4-(4-bromobenzenesulfonyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]morpholine
G856-0587 Screening compound: 4-[4-(4-bromobenzenesulfonyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-0587
4-[4-(4-bromobenzenesulfonyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]morpholine

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

G856-0587

Molecular Formula

C22H23BrN2O7S (C22 H23 BrN2 O7 S)

Compound Name

4-[4-(4-bromobenzenesulfonyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]morpholine

IUPAC name

4-[4-(4-bromobenzenesulfonyl)-2-(345-trimethoxyphenyl)-13-oxazol-5-yl]morpholine

SMILES

COc1cc(-c2nc(S(c(cc3)ccc3Br)(=O)=O)c(N3CCOCC3)o2)cc(OC)c1OC

InChI

InChI=1S/C22H23BrN2O7S/c1-28-17-12-14(13-18(29-2)19(17)30-3)20-24-21(22(32-20)25-8-10-31-11-9-25)33(26,27)16-6-4-15(23)5-7-16/h4-7,12-13H,8-11H2,1-3H3

InChI Key

XVEDMEGBEHXBTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06435121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.883

Water Solubility, LogSw

-4.06

Polar Surface Area

82.365

Acid Dissociation Constant (pKa)

27.23

Base Dissociation Constant (pKb)

-6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G856-0587 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G856-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-0587?
Check Price and Availability of G856-0587, 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 G856-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-0587
  • 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 G856-0587 available by request