C517-5298 Screening compound: 3-methyl-6-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzoxazol-2-one

C517-5298 Screening compound: 3-methyl-6-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzoxazol-2-one
C517-5298 Screening compound: 3-methyl-6-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-5298
3-methyl-6-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzoxazol-2-one

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

C517-5298

Molecular Formula

C20H23N3O4S (C20 H23 N3 O4 S)

Compound Name

3-methyl-6-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-methyl-6-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-23-dihydro-13-benzoxazol-2-one

SMILES

CC(CN(CC1)S(c(cc2)cc(O3)c2N(C)C3=O)(=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C20H23N3O4S/c1-14-5-4-6-16(11-14)23-10-9-22(13-15(23)2)28(25,26)17-7-8-18-19(12-17)27-20(24)21(18)3/h4-8,11-12,15H,9-10,13H2,1-3H3/t15-/m0/s1

InChI Key

MPCJUVDDRXYGPP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14764146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.193

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-3.58

Polar Surface Area

57.294

Acid Dissociation Constant (pKa)

25.90

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with C517-5298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-5298?
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What is the minimum amount of C517-5298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-5298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-5298
  • 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 C517-5298 available by request