8020-8208 Screening compound: 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-N~1~,N~3~-bis(2-methoxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxamide

8020-8208 Screening compound: 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-N~1~,N~3~-bis(2-methoxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxamide
8020-8208 Screening compound: 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-N~1~,N~3~-bis(2-methoxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8208
2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-N~1~,N~3~-bis(2-methoxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxamide

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

8020-8208

Molecular Formula

C31H34N2O8 (C31 H34 N2 O8)

Compound Name

2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-N~1~,N~3~-bis(2-methoxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxamide

IUPAC name

2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-N1N3-bis(2-methoxyphenyl)-4-methyl-6-oxocyclohexane-13-dicarboxamide

SMILES

CCOc(cc(C(C(C(C)(C1)O)C(Nc(cccc2)c2OC)=O)C(C(Nc(cccc2)c2OC)=O)C1=O)cc1)c1O

InChI

InChI=1S/C31H34N2O8/c1-5-41-25-16-18(14-15-21(25)34)26-27(29(36)32-19-10-6-8-12-23(19)39-3)22(35)17-31(2,38)28(26)30(37)33-20-11-7-9-13-24(20)40-4/h6-16,26-28,34,38H,5,17H2,1-4H3,(H,32,36)(H,33,37)

InChI Key

DHTRQFIAJZNYRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11058621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.569

Distribution Coefficient, logD

3.239

Water Solubility, LogSw

-3.42

Polar Surface Area

112.538

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

32.26

8020-8208 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-8208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8208?
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What is the minimum amount of 8020-8208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8208
  • 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 8020-8208 available by request