1781-2019 Screening compound: 12-[4-(dimethylamino)phenyl]-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one

1781-2019 Screening compound: 12-[4-(dimethylamino)phenyl]-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one
1781-2019 Screening compound: 12-[4-(dimethylamino)phenyl]-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1781-2019
12-[4-(dimethylamino)phenyl]-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

1781-2019

Molecular Formula

C27H28N2O (C27 H28 N2 O)

Compound Name

12-[4-(dimethylamino)phenyl]-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one

IUPAC name

12-[4-(dimethylamino)phenyl]-33-dimethyl-1234512-hexahydro-5-azatetraphen-1-one

SMILES

CC(C)(C1)CC(Nc2c(C3c(cc4)ccc4N(C)C)c4ccccc4cc2)=C3C1=O

InChI

InChI=1S/C27H28N2O/c1-27(2)15-22-26(23(30)16-27)24(18-9-12-19(13-10-18)29(3)4)25-20-8-6-5-7-17(20)11-14-21(25)28-22/h5-14,24,28H,15-16H2,1-4H3/t24-/m0/s1

InChI Key

HABHIONEEBQZDM-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD00785436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.838

Distribution Coefficient, logD

5.824

Water Solubility, LogSw

-6.75

Polar Surface Area

26.803

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with 1781-2019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1781-2019?
Check Price and Availability of 1781-2019, 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 1781-2019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1781-2019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1781-2019
  • 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 1781-2019 available by request