8019-0487 Screening compound: 4-[2-(2-bromophenyl)-4-(4-ethoxybenzenesulfonyl)-1,3-oxazol-5-yl]morpholine

8019-0487 Screening compound: 4-[2-(2-bromophenyl)-4-(4-ethoxybenzenesulfonyl)-1,3-oxazol-5-yl]morpholine
8019-0487 Screening compound: 4-[2-(2-bromophenyl)-4-(4-ethoxybenzenesulfonyl)-1,3-oxazol-5-yl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0487
4-[2-(2-bromophenyl)-4-(4-ethoxybenzenesulfonyl)-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

8019-0487

Molecular Formula

C21H21BrN2O5S (C21 H21 BrN2 O5 S)

Compound Name

4-[2-(2-bromophenyl)-4-(4-ethoxybenzenesulfonyl)-1,3-oxazol-5-yl]morpholine

IUPAC name

4-[2-(2-bromophenyl)-4-(4-ethoxybenzenesulfonyl)-13-oxazol-5-yl]morpholine

SMILES

CCOc(cc1)ccc1S(c1c(N2CCOCC2)oc(-c(cccc2)c2Br)n1)(=O)=O

InChI

InChI=1S/C21H21BrN2O5S/c1-2-28-15-7-9-16(10-8-15)30(25,26)20-21(24-11-13-27-14-12-24)29-19(23-20)17-5-3-4-6-18(17)22/h3-10H,2,11-14H2,1H3

InChI Key

KOSHOSJHHLMQIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07443316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.19

Polar Surface Area

66.511

Acid Dissociation Constant (pKa)

27.23

Base Dissociation Constant (pKb)

-7.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8019-0487 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

PI3K-Targeted Library (17255 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8019-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0487?
Check Price and Availability of 8019-0487, 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 8019-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0487
  • 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 8019-0487 available by request