8012-5506 Screening compound: 1-ethyl-4-(1H-indol-3-yl)-6-methyl-3-(6-methyl-2-quinolyl)-1,4-dihydroquinoline

8012-5506 Screening compound: 1-ethyl-4-(1H-indol-3-yl)-6-methyl-3-(6-methyl-2-quinolyl)-1,4-dihydroquinoline
8012-5506 Screening compound: 1-ethyl-4-(1H-indol-3-yl)-6-methyl-3-(6-methyl-2-quinolyl)-1,4-dihydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5506
1-ethyl-4-(1H-indol-3-yl)-6-methyl-3-(6-methyl-2-quinolyl)-1,4-dihydroquinoline

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

8012-5506

Molecular Formula

C30H27N3 (C30 H27 N3)

Compound Name

1-ethyl-4-(1H-indol-3-yl)-6-methyl-3-(6-methyl-2-quinolyl)-1,4-dihydroquinoline

IUPAC name

1'-ethyl-4'-(1H-indol-3-yl)-66'-dimethyl-1'4'-dihydro-23'-biquinoline

SMILES

CCN(C=C(C1c2c[nH]c3c2cccc3)c2nc3ccc(C)cc3cc2)c2c1cc(C)cc2

InChI

InChI=1S/C30H27N3/c1-4-33-18-25(28-13-11-21-15-19(2)9-12-26(21)32-28)30(23-16-20(3)10-14-29(23)33)24-17-31-27-8-6-5-7-22(24)27/h5-18,30-31H,4H2,1-3H3/t30-/m1/s1

InChI Key

JGQMQCFHQANMOF-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD03036446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.358

Distribution Coefficient, logD

7.331

Water Solubility, LogSw

-6.38

Polar Surface Area

20.071

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

8012-5506 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-5506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5506?
Check Price and Availability of 8012-5506, 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 8012-5506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5506
  • 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 8012-5506 available by request