C602-0104 Screening compound: ethyl 2-(6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate

C602-0104 Screening compound: ethyl 2-(6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate
C602-0104 Screening compound: ethyl 2-(6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C602-0104
ethyl 2-(6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-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

C602-0104

Molecular Formula

C23H27N3O6S (C23 H27 N3 O6 S)

Compound Name

ethyl 2-(6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate

IUPAC name

ethyl 2-(6-{[4-(25-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-oxo-23-dihydro-13-benzoxazol-3-yl)acetate

SMILES

CCOC(CN(c(ccc(S(N(CC1)CCN1c1c(C)ccc(C)c1)(=O)=O)c1)c1O1)C1=O)=O

InChI

InChI=1S/C23H27N3O6S/c1-4-31-22(27)15-26-19-8-7-18(14-21(19)32-23(26)28)33(29,30)25-11-9-24(10-12-25)20-13-16(2)5-6-17(20)3/h5-8,13-14H,4,9-12,15H2,1-3H3

InChI Key

KJUDDJVGGNKMQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.736

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-3.97

Polar Surface Area

78.168

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C602-0104 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C602-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C602-0104?
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What is the minimum amount of C602-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C602-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C602-0104
  • 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 C602-0104 available by request