C602-0084 Screening compound: ethyl 2-{6-[(2-cyanoethyl)(methyl)sulfamoyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}acetate

C602-0084 Screening compound: ethyl 2-{6-[(2-cyanoethyl)(methyl)sulfamoyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}acetate
C602-0084 Screening compound: ethyl 2-{6-[(2-cyanoethyl)(methyl)sulfamoyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C602-0084
ethyl 2-{6-[(2-cyanoethyl)(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

C602-0084

Molecular Formula

C15H17N3O6S (C15 H17 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CN(c(ccc(S(N(C)CCC#N)(=O)=O)c1)c1O1)C1=O)=O

InChI

InChI=1S/C15H17N3O6S/c1-3-23-14(19)10-18-12-6-5-11(9-13(12)24-15(18)20)25(21,22)17(2)8-4-7-16/h5-6,9H,3-4,8,10H2,1-2H3

InChI Key

PQNGZFBAOUWXQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.38

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.802

Distribution Coefficient, logD

0.802

Water Solubility, LogSw

-2.34

Polar Surface Area

93.803

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C602-0084 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C602-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C602-0084?
Check Price and Availability of C602-0084, 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 C602-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C602-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C602-0084
  • 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 C602-0084 available by request