8012-5545 Screening compound: 2-methyl-5-(4-propoxyphenyl)-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one

8012-5545 Screening compound: 2-methyl-5-(4-propoxyphenyl)-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one
8012-5545 Screening compound: 2-methyl-5-(4-propoxyphenyl)-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5545
2-methyl-5-(4-propoxyphenyl)-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

8012-5545

Molecular Formula

C26H26N2O2 (C26 H26 N2 O2)

Compound Name

2-methyl-5-(4-propoxyphenyl)-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one

IUPAC name

2-methyl-5-(4-propoxyphenyl)-5678910-hexahydro-110-diazatetraphen-6-one

SMILES

CCCOc1ccc(C2C(C(CCC3)=O)=C3Nc3c2c2ccc(C)nc2cc3)cc1

InChI

InChI=1S/C26H26N2O2/c1-3-15-30-18-10-8-17(9-11-18)24-25-19-12-7-16(2)27-20(19)13-14-22(25)28-21-5-4-6-23(29)26(21)24/h7-14,24,28H,3-6,15H2,1-2H3/t24-/m0/s1

InChI Key

ZEKUWMZXYJAQIG-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03036482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.911

Distribution Coefficient, logD

5.899

Water Solubility, LogSw

-5.64

Polar Surface Area

39.825

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 8012-5545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5545?
Check Price and Availability of 8012-5545, 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 8012-5545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5545
  • 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 8012-5545 available by request