8015-0088 Screening compound: 10-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5,6,7,8,9,10-hexahydro-1,5-diazatetraphen-9-one

8015-0088 Screening compound: 10-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5,6,7,8,9,10-hexahydro-1,5-diazatetraphen-9-one
8015-0088 Screening compound: 10-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5,6,7,8,9,10-hexahydro-1,5-diazatetraphen-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0088
10-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5,6,7,8,9,10-hexahydro-1,5-diazatetraphen-9-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

8015-0088

Molecular Formula

C25H22N2O3 (C25 H22 N2 O3)

Compound Name

10-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5,6,7,8,9,10-hexahydro-1,5-diazatetraphen-9-one

IUPAC name

10-(2H-13-benzodioxol-5-yl)-77-dimethyl-5678910-hexahydro-15-diazatetraphen-9-one

SMILES

CC(C)(C1)CC(Nc2c(C3c(cc4)cc5c4OCO5)ccc4ncccc24)=C3C1=O

InChI

InChI=1S/C25H22N2O3/c1-25(2)11-18-23(19(28)12-25)22(14-5-8-20-21(10-14)30-13-29-20)16-6-7-17-15(24(16)27-18)4-3-9-26-17/h3-10,22,27H,11-13H2,1-2H3/t22-/m0/s1

InChI Key

CRZAPZBQRVDCRX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03821630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.484

Distribution Coefficient, logD

4.311

Water Solubility, LogSw

-4.50

Polar Surface Area

47.896

Acid Dissociation Constant (pKa)

7.71

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 8015-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0088?
Check Price and Availability of 8015-0088, 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 8015-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0088
  • 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 8015-0088 available by request