8017-8145 Screening compound: 4-(1-cyclohexenyl)-1,2,3,4-tetrahydro[1,10]phenanthroline

8017-8145 Screening compound: 4-(1-cyclohexenyl)-1,2,3,4-tetrahydro[1,10]phenanthroline
8017-8145 Screening compound: 4-(1-cyclohexenyl)-1,2,3,4-tetrahydro[1,10]phenanthroline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8145
4-(1-cyclohexenyl)-1,2,3,4-tetrahydro[1,10]phenanthroline

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

8017-8145

Molecular Formula

C18H20N2 (C18 H20 N2)

Compound Name

4-(1-cyclohexenyl)-1,2,3,4-tetrahydro[1,10]phenanthroline

IUPAC name

4-(cyclohex-1-en-1-yl)-1234-tetrahydro-110-phenanthroline

SMILES

C(CC1)CC=C1C1c2ccc(cccn3)c3c2NCC1

InChI

InChI=1S/C18H20N2/c1-2-5-13(6-3-1)15-10-12-20-18-16(15)9-8-14-7-4-11-19-17(14)18/h4-5,7-9,11,15,20H,1-3,6,10,12H2/t15-/m1/s1

InChI Key

PGYFETNNOHIQDK-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD06618424

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

264.37

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-3.91

Polar Surface Area

18.919

Acid Dissociation Constant (pKa)

20.61

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

8017-8145 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

KRAS-Targeted Library (16000 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8017-8145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8145?
Check Price and Availability of 8017-8145, 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 8017-8145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8145
  • 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 8017-8145 available by request