5294-0063 Screening compound: 2-{2-[5-(ethanesulfonyl)-2-methoxyphenyl]hydrazin-1-ylidene}-5,5-dimethylcyclohexane-1,3-dione

5294-0063 Screening compound: 2-{2-[5-(ethanesulfonyl)-2-methoxyphenyl]hydrazin-1-ylidene}-5,5-dimethylcyclohexane-1,3-dione
5294-0063 Screening compound: 2-{2-[5-(ethanesulfonyl)-2-methoxyphenyl]hydrazin-1-ylidene}-5,5-dimethylcyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5294-0063
2-{2-[5-(ethanesulfonyl)-2-methoxyphenyl]hydrazin-1-ylidene}-5,5-dimethylcyclohexane-1,3-dione

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

5294-0063

Molecular Formula

C17H22N2O5S (C17 H22 N2 O5 S)

Compound Name

2-{2-[5-(ethanesulfonyl)-2-methoxyphenyl]hydrazin-1-ylidene}-5,5-dimethylcyclohexane-1,3-dione

IUPAC name

2-{2-[5-(ethanesulfonyl)-2-methoxyphenyl]hydrazin-1-ylidene}-55-dimethylcyclohexane-13-dione

SMILES

CCS(c(cc1)cc(NN=C(C(CC(C)(C)C2)=O)C2=O)c1OC)(=O)=O

InChI

InChI=1S/C17H22N2O5S/c1-5-25(22,23)11-6-7-15(24-4)12(8-11)18-19-16-13(20)9-17(2,3)10-14(16)21/h6-8,18H,5,9-10H2,1-4H3

InChI Key

LCQHYTWPBVXYSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.155

Distribution Coefficient, logD

1.714

Water Solubility, LogSw

-2.93

Polar Surface Area

82.599

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

References: we are preparing a list of scientific research reports with 5294-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5294-0063?
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What is the minimum amount of 5294-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5294-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5294-0063
  • 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 5294-0063 available by request