8018-2617 Screening compound: ethyl (2E,4E)-2-(aminocarbonyl)-6-(2,4-dimethylphenyl)-3,4-dihydroxy-6-oxo-2,4-hexadienoate

8018-2617 Screening compound: ethyl (2E,4E)-2-(aminocarbonyl)-6-(2,4-dimethylphenyl)-3,4-dihydroxy-6-oxo-2,4-hexadienoate
8018-2617 Screening compound: ethyl (2E,4E)-2-(aminocarbonyl)-6-(2,4-dimethylphenyl)-3,4-dihydroxy-6-oxo-2,4-hexadienoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2617
ethyl (2E,4E)-2-(aminocarbonyl)-6-(2,4-dimethylphenyl)-3,4-dihydroxy-6-oxo-2,4-hexadienoate

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

8018-2617

Molecular Formula

C17H19NO6 (C17 H19 NO6)

Compound Name

ethyl (2E,4E)-2-(aminocarbonyl)-6-(2,4-dimethylphenyl)-3,4-dihydroxy-6-oxo-2,4-hexadienoate

IUPAC name

n/a

SMILES

CCOC(/C(/C(N)=O)=C(\C(\O)=C/C(c1c(C)cc(C)cc1)=O)/O)=O

InChI

InChI=1S/C17H19NO6/c1-4-24-17(23)14(16(18)22)15(21)13(20)8-12(19)11-6-5-9(2)7-10(11)3/h5-8,20-21H,4H2,1-3H3,(H2,18,22)

InChI Key

ONHCMXXYDDMXLB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.556

Distribution Coefficient, logD

0.746

Water Solubility, LogSw

-2.41

Polar Surface Area

100.410

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 8018-2617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2617?
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What is the minimum amount of 8018-2617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2617
  • 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 8018-2617 available by request