8012-4625 Screening compound: 5-(2,5-dimethoxyphenyl)-8,8-dimethyl-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one

8012-4625 Screening compound: 5-(2,5-dimethoxyphenyl)-8,8-dimethyl-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one
8012-4625 Screening compound: 5-(2,5-dimethoxyphenyl)-8,8-dimethyl-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4625
5-(2,5-dimethoxyphenyl)-8,8-dimethyl-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-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

8012-4625

Molecular Formula

C26H26N2O3 (C26 H26 N2 O3)

Compound Name

5-(2,5-dimethoxyphenyl)-8,8-dimethyl-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one

IUPAC name

5-(25-dimethoxyphenyl)-88-dimethyl-5678910-hexahydro-110-diazatetraphen-6-one

SMILES

CC(C)(C1)CC(Nc2c(C3c(cc(cc4)OC)c4OC)c4cccnc4cc2)=C3C1=O

InChI

InChI=1S/C26H26N2O3/c1-26(2)13-20-25(21(29)14-26)24(17-12-15(30-3)7-10-22(17)31-4)23-16-6-5-11-27-18(16)8-9-19(23)28-20/h5-12,24,28H,13-14H2,1-4H3/t24-/m0/s1

InChI Key

KTCOPMVUICJOJS-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03017745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.054

Distribution Coefficient, logD

5.026

Water Solubility, LogSw

-5.07

Polar Surface Area

48.207

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 8012-4625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4625?
Check Price and Availability of 8012-4625, 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 8012-4625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4625
  • 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 8012-4625 available by request