1781-2043 Screening compound: 12-(4-methoxyphenyl)-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one

1781-2043 Screening compound: 12-(4-methoxyphenyl)-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one
1781-2043 Screening compound: 12-(4-methoxyphenyl)-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1781-2043
12-(4-methoxyphenyl)-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

1781-2043

Molecular Formula

C26H25NO2 (C26 H25 NO2)

Compound Name

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

IUPAC name

12-(4-methoxyphenyl)-33-dimethyl-1234512-hexahydro-5-azatetraphen-1-one

SMILES

CC(C)(C1)CC(Nc2c(C3c(cc4)ccc4OC)c4ccccc4cc2)=C3C1=O

InChI

InChI=1S/C26H25NO2/c1-26(2)14-21-25(22(28)15-26)23(17-8-11-18(29-3)12-9-17)24-19-7-5-4-6-16(19)10-13-20(24)27-21/h4-13,23,27H,14-15H2,1-3H3/t23-/m0/s1

InChI Key

DPKWKMOIEYMTCS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00785431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.730

Distribution Coefficient, logD

5.723

Water Solubility, LogSw

-6.85

Polar Surface Area

31.542

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 1781-2043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1781-2043?
Check Price and Availability of 1781-2043, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1781-2043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1781-2043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1781-2043
  • 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 1781-2043 available by request