8010-9400 Screening compound: 11,11-dimethyl-8-(3-methylthiophen-2-yl)-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-9-one

8010-9400 Screening compound: 11,11-dimethyl-8-(3-methylthiophen-2-yl)-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-9-one
8010-9400 Screening compound: 11,11-dimethyl-8-(3-methylthiophen-2-yl)-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9400
11,11-dimethyl-8-(3-methylthiophen-2-yl)-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-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

8010-9400

Molecular Formula

C23H22N2OS (C23 H22 N2 OS)

Compound Name

11,11-dimethyl-8-(3-methylthiophen-2-yl)-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-9-one

IUPAC name

1111-dimethyl-8-(3-methylthiophen-2-yl)-7H8H9H10H11H12H-cyclohexa[a]47-phenanthrolin-9-one

SMILES

CC(C)(CC1=C2C(c3c(C)ccs3)Nc3c1c1cccnc1cc3)CC2=O

InChI

InChI=1S/C23H22N2OS/c1-13-8-10-27-22(13)21-20-15(11-23(2,3)12-18(20)26)19-14-5-4-9-24-16(14)6-7-17(19)25-21/h4-10,21,25H,11-12H2,1-3H3/t21-/m1/s1

InChI Key

LXDNCMFCWLSUAO-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD02641237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.844

Distribution Coefficient, logD

4.844

Water Solubility, LogSw

-4.89

Polar Surface Area

34.985

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

8010-9400 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8010-9400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9400?
Check Price and Availability of 8010-9400, 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 8010-9400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9400
  • 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 8010-9400 available by request