C602-0096 Screening compound: ethyl 2-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate

C602-0096 Screening compound: ethyl 2-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate
C602-0096 Screening compound: ethyl 2-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C602-0096
ethyl 2-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]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

C602-0096

Molecular Formula

C19H18N2O8S (C19 H18 N2 O8 S)

Compound Name

ethyl 2-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate

IUPAC name

ethyl 2-(6-{[(2H-13-benzodioxol-5-yl)methyl]sulfamoyl}-2-oxo-23-dihydro-13-benzoxazol-3-yl)acetate

SMILES

CCOC(CN(c(ccc(S(NCc(cc1)cc2c1OCO2)(=O)=O)c1)c1O1)C1=O)=O

InChI

InChI=1S/C19H18N2O8S/c1-2-26-18(22)10-21-14-5-4-13(8-16(14)29-19(21)23)30(24,25)20-9-12-3-6-15-17(7-12)28-11-27-15/h3-8,20H,2,9-11H2,1H3

InChI Key

NSAXHWGHTIMKRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.43

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.280

Distribution Coefficient, logD

2.280

Water Solubility, LogSw

-2.96

Polar Surface Area

102.371

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with C602-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C602-0096?
Check Price and Availability of C602-0096, 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 C602-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C602-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C602-0096
  • 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 C602-0096 available by request