8019-4189 Screening compound: 4-hydroxy-N~1~,N~3~-bis(2-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-6-oxo-1,3-cyclohexanedicarboxamide

8019-4189 Screening compound: 4-hydroxy-N~1~,N~3~-bis(2-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-6-oxo-1,3-cyclohexanedicarboxamide
8019-4189 Screening compound: 4-hydroxy-N~1~,N~3~-bis(2-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-6-oxo-1,3-cyclohexanedicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4189
4-hydroxy-N~1~,N~3~-bis(2-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-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

8019-4189

Molecular Formula

C30H32N2O6 (C30 H32 N2 O6)

Compound Name

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

IUPAC name

4-hydroxy-N1N3-bis(2-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-6-oxocyclohexane-13-dicarboxamide

SMILES

CC(CC(C(C1c2ccc(C)cc2)C(Nc(cccc2)c2OC)=O)=O)(C1C(Nc(cccc1)c1OC)=O)O

InChI

InChI=1S/C30H32N2O6/c1-18-13-15-19(16-14-18)25-26(28(34)31-20-9-5-7-11-23(20)37-3)22(33)17-30(2,36)27(25)29(35)32-21-10-6-8-12-24(21)38-4/h5-16,25-27,36H,17H2,1-4H3,(H,31,34)(H,32,35)

InChI Key

ONIQBZZIXMDNDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10037742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.229

Distribution Coefficient, logD

3.899

Water Solubility, LogSw

-4.49

Polar Surface Area

88.780

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

30.00

8019-4189 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-4189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4189?
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What is the minimum amount of 8019-4189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4189
  • 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 8019-4189 available by request