1781-2026 Screening compound: 12-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one

1781-2026 Screening compound: 12-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one
1781-2026 Screening compound: 12-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1781-2026
12-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one

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

1781-2026

Molecular Formula

C27H27NO3 (C27 H27 NO3)

Compound Name

12-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one

IUPAC name

12-(34-dimethoxyphenyl)-33-dimethyl-1234512-hexahydro-5-azatetraphen-1-one

SMILES

CC(C)(C1)CC(Nc2c(C3c(cc4)cc(OC)c4OC)c4ccccc4cc2)=C3C1=O

InChI

InChI=1S/C27H27NO3/c1-27(2)14-20-26(21(29)15-27)24(17-10-12-22(30-3)23(13-17)31-4)25-18-8-6-5-7-16(18)9-11-19(25)28-20/h5-13,24,28H,14-15H2,1-4H3/t24-/m0/s1

InChI Key

OIIMRRLUCKJVKP-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD00785433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.402

Distribution Coefficient, logD

5.396

Water Solubility, LogSw

-6.75

Polar Surface Area

39.259

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with 1781-2026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1781-2026?
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What is the minimum amount of 1781-2026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1781-2026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1781-2026
  • 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 1781-2026 available by request