C602-0112 Screening compound: ethyl 2-{6-[(2,5-dimethylphenyl)sulfamoyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}acetate

C602-0112 Screening compound: ethyl 2-{6-[(2,5-dimethylphenyl)sulfamoyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}acetate
C602-0112 Screening compound: ethyl 2-{6-[(2,5-dimethylphenyl)sulfamoyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C602-0112
ethyl 2-{6-[(2,5-dimethylphenyl)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

C602-0112

Molecular Formula

C19H20N2O6S (C19 H20 N2 O6 S)

Compound Name

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

IUPAC name

ethyl 2-{6-[(25-dimethylphenyl)sulfamoyl]-2-oxo-23-dihydro-13-benzoxazol-3-yl}acetate

SMILES

CCOC(CN(c(ccc(S(Nc1c(C)ccc(C)c1)(=O)=O)c1)c1O1)C1=O)=O

InChI

InChI=1S/C19H20N2O6S/c1-4-26-18(22)11-21-16-8-7-14(10-17(16)27-19(21)23)28(24,25)20-15-9-12(2)5-6-13(15)3/h5-10,20H,4,11H2,1-3H3

InChI Key

QPCBRZJLBZTPOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.724

Distribution Coefficient, logD

2.723

Water Solubility, LogSw

-3.21

Polar Surface Area

83.449

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C602-0112 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with C602-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C602-0112?
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What is the minimum amount of C602-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C602-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C602-0112
  • 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 C602-0112 available by request