8019-7447 Screening compound: 1,3-diethyl (6E)-4-hydroxy-4-methyl-6-[(4-methylbenzenesulfonamido)imino]-2-phenylcyclohexane-1,3-dicarboxylate

8019-7447 Screening compound: 1,3-diethyl (6E)-4-hydroxy-4-methyl-6-[(4-methylbenzenesulfonamido)imino]-2-phenylcyclohexane-1,3-dicarboxylate
8019-7447 Screening compound: 1,3-diethyl (6E)-4-hydroxy-4-methyl-6-[(4-methylbenzenesulfonamido)imino]-2-phenylcyclohexane-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7447
1,3-diethyl (6E)-4-hydroxy-4-methyl-6-[(4-methylbenzenesulfonamido)imino]-2-phenylcyclohexane-1,3-dicarboxylate

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

8019-7447

Molecular Formula

C26H32N2O7S (C26 H32 N2 O7 S)

Compound Name

1,3-diethyl (6E)-4-hydroxy-4-methyl-6-[(4-methylbenzenesulfonamido)imino]-2-phenylcyclohexane-1,3-dicarboxylate

IUPAC name

13-diethyl (6E)-4-hydroxy-4-methyl-6-[(4-methylbenzenesulfonamido)imino]-2-phenylcyclohexane-13-dicarboxylate

SMILES

CCOC(C(C(C(C(OCC)=O)/C(/C1)=N/NS(c2ccc(C)cc2)(=O)=O)c2ccccc2)C1(C)O)=O

InChI

InChI=1S/C26H32N2O7S/c1-5-34-24(29)22-20(27-28-36(32,33)19-14-12-17(3)13-15-19)16-26(4,31)23(25(30)35-6-2)21(22)18-10-8-7-9-11-18/h7-15,21-23,28,31H,5-6,16H2,1-4H3

InChI Key

XCHGLPYETUMHLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10039303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.157

Distribution Coefficient, logD

2.510

Water Solubility, LogSw

-4.15

Polar Surface Area

106.883

Acid Dissociation Constant (pKa)

5.76

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with 8019-7447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7447?
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What is the minimum amount of 8019-7447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7447
  • 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 8019-7447 available by request