6031-0127 Screening compound: 4-{11,11-dimethyl-9-oxo-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-8-yl}-2-methoxyphenyl 4-chlorobenzoate

6031-0127 Screening compound: 4-{11,11-dimethyl-9-oxo-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-8-yl}-2-methoxyphenyl 4-chlorobenzoate
6031-0127 Screening compound: 4-{11,11-dimethyl-9-oxo-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-8-yl}-2-methoxyphenyl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6031-0127
4-{11,11-dimethyl-9-oxo-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-8-yl}-2-methoxyphenyl 4-chlorobenzoate

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

6031-0127

Molecular Formula

C32H27ClN2O4 (C32 H27 ClN2 O4)

Compound Name

4-{11,11-dimethyl-9-oxo-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-8-yl}-2-methoxyphenyl 4-chlorobenzoate

IUPAC name

4-{1111-dimethyl-9-oxo-7H8H9H10H11H12H-cyclohexa[a]47-phenanthrolin-8-yl}-2-methoxyphenyl 4-chlorobenzoate

SMILES

CC(C)(CC1=C2C(c(cc3)cc(OC)c3OC(c(cc3)ccc3Cl)=O)Nc3c1c1cccnc1cc3)CC2=O

InChI

InChI=1S/C32H27ClN2O4/c1-32(2)16-22-28-21-5-4-14-34-23(21)11-12-24(28)35-30(29(22)25(36)17-32)19-8-13-26(27(15-19)38-3)39-31(37)18-6-9-20(33)10-7-18/h4-15,30,35H,16-17H2,1-3H3/t30-/m0/s1

InChI Key

QEACVMGJIXXCDS-PMERELPUSA-N

MDL Number (MFCD)

MFCD14711145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.370

Distribution Coefficient, logD

6.370

Water Solubility, LogSw

-6.54

Polar Surface Area

62.061

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.90

References: we are preparing a list of scientific research reports with 6031-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6031-0127?
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What is the minimum amount of 6031-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6031-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6031-0127
  • 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 6031-0127 available by request