C602-0135 Screening compound: ethyl 2-[2-oxo-6-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}-1,3-benzoxazol-3(2H)-yl]acetate

C602-0135 Screening compound: ethyl 2-[2-oxo-6-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}-1,3-benzoxazol-3(2H)-yl]acetate
C602-0135 Screening compound: ethyl 2-[2-oxo-6-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}-1,3-benzoxazol-3(2H)-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C602-0135
ethyl 2-[2-oxo-6-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}-1,3-benzoxazol-3(2H)-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

C602-0135

Molecular Formula

C16H20N2O7S (C16 H20 N2 O7 S)

Compound Name

ethyl 2-[2-oxo-6-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}-1,3-benzoxazol-3(2H)-yl]acetate

IUPAC name

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

SMILES

CCOC(CN(c(ccc(S(NCC1OCCC1)(=O)=O)c1)c1O1)C1=O)=O

InChI

InChI=1S/C16H20N2O7S/c1-2-23-15(19)10-18-13-6-5-12(8-14(13)25-16(18)20)26(21,22)17-9-11-4-3-7-24-11/h5-6,8,11,17H,2-4,7,9-10H2,1H3/t11-/m1/s1

InChI Key

JSFJOFIDBNJWJA-LLVKDONJSA-N

MDL Number (MFCD)

MFCD14775048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.41

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.992

Distribution Coefficient, logD

0.992

Water Solubility, LogSw

-2.54

Polar Surface Area

93.910

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-5.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C602-0135 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C602-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C602-0135?
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What is the minimum amount of C602-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C602-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C602-0135
  • 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 C602-0135 available by request