8019-5618 Screening compound: di(tert-butyl) 4-hydroxy-4-methyl-6-{(E)-2-[(4-methylphenyl)sulfonyl]hydrazono}-2-phenyl-1,3-cyclohexanedicarboxylate

8019-5618 Screening compound: di(tert-butyl) 4-hydroxy-4-methyl-6-{(E)-2-[(4-methylphenyl)sulfonyl]hydrazono}-2-phenyl-1,3-cyclohexanedicarboxylate
8019-5618 Screening compound: di(tert-butyl) 4-hydroxy-4-methyl-6-{(E)-2-[(4-methylphenyl)sulfonyl]hydrazono}-2-phenyl-1,3-cyclohexanedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5618
di(tert-butyl) 4-hydroxy-4-methyl-6-{(E)-2-[(4-methylphenyl)sulfonyl]hydrazono}-2-phenyl-1,3-cyclohexanedicarboxylate

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

8019-5618

Molecular Formula

C30H40N2O7S (C30 H40 N2 O7 S)

Compound Name

di(tert-butyl) 4-hydroxy-4-methyl-6-{(E)-2-[(4-methylphenyl)sulfonyl]hydrazono}-2-phenyl-1,3-cyclohexanedicarboxylate

IUPAC name

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

SMILES

CC(C)(C)OC(C(C(C(C(OC(C)(C)C)=O)/C(/C1)=N/NS(c2ccc(C)cc2)(=O)=O)c2ccccc2)C1(C)O)=O

InChI

InChI=1S/C30H40N2O7S/c1-19-14-16-21(17-15-19)40(36,37)32-31-22-18-30(8,35)25(27(34)39-29(5,6)7)23(20-12-10-9-11-13-20)24(22)26(33)38-28(2,3)4/h9-17,23-25,32,35H,18H2,1-8H3

InChI Key

YDQFEAJMPQODHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.72

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

6.118

Distribution Coefficient, logD

4.470

Water Solubility, LogSw

-5.60

Polar Surface Area

105.102

Acid Dissociation Constant (pKa)

5.76

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8019-5618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5618?
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What is the minimum amount of 8019-5618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5618
  • 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 8019-5618 available by request