F064-1326 Screening compound: propyl 2-{6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}acetate

F064-1326 Screening compound: propyl 2-{6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}acetate
F064-1326 Screening compound: propyl 2-{6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F064-1326
propyl 2-{6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}acetate

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

F064-1326

Molecular Formula

C20H20N2O8S (C20 H20 N2 O8 S)

Compound Name

propyl 2-{6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}acetate

IUPAC name

propyl 2-{6-[(23-dihydro-14-benzodioxin-6-yl)sulfamoyl]-2-oxo-23-dihydro-13-benzoxazol-3-yl}acetate

SMILES

CCCOC(CN(c(ccc(S(Nc(cc1)cc2c1OCCO2)(=O)=O)c1)c1O1)C1=O)=O

InChI

InChI=1S/C20H20N2O8S/c1-2-7-29-19(23)12-22-15-5-4-14(11-17(15)30-20(22)24)31(25,26)21-13-3-6-16-18(10-13)28-9-8-27-16/h3-6,10-11,21H,2,7-9,12H2,1H3

InChI Key

BWDQTTFKNDKIMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27098100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.777

Distribution Coefficient, logD

1.763

Water Solubility, LogSw

-2.78

Polar Surface Area

100.264

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

-6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F064-1326 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F064-1326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F064-1326?
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What is the minimum amount of F064-1326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F064-1326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F064-1326
  • 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 F064-1326 available by request