8019-7450 Screening compound: 1,3-diethyl (6E)-2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-[(4-methylbenzenesulfonamido)imino]cyclohexane-1,3-dicarboxylate

8019-7450 Screening compound: 1,3-diethyl (6E)-2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-[(4-methylbenzenesulfonamido)imino]cyclohexane-1,3-dicarboxylate
8019-7450 Screening compound: 1,3-diethyl (6E)-2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-[(4-methylbenzenesulfonamido)imino]cyclohexane-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7450
1,3-diethyl (6E)-2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-[(4-methylbenzenesulfonamido)imino]cyclohexane-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

8019-7450

Molecular Formula

C26H31ClN2O7S (C26 H31 ClN2 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(C(C(OCC)=O)/C(/C1)=N/NS(c2ccc(C)cc2)(=O)=O)c(cc2)ccc2Cl)C1(C)O)=O

InChI

InChI=1S/C26H31ClN2O7S/c1-5-35-24(30)22-20(28-29-37(33,34)19-13-7-16(3)8-14-19)15-26(4,32)23(25(31)36-6-2)21(22)17-9-11-18(27)12-10-17/h7-14,21-23,29,32H,5-6,15H2,1-4H3

InChI Key

MIHCMAMFVWXUQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10039306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.06

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

4.748

Distribution Coefficient, logD

3.100

Water Solubility, LogSw

-4.95

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 8019-7450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7450?
Check Price and Availability of 8019-7450, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8019-7450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7450
  • 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 8019-7450 available by request