8012-5548 Screening compound: 5-(cyclohex-3-en-1-yl)-2-methyl-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one

8012-5548 Screening compound: 5-(cyclohex-3-en-1-yl)-2-methyl-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one
8012-5548 Screening compound: 5-(cyclohex-3-en-1-yl)-2-methyl-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5548
5-(cyclohex-3-en-1-yl)-2-methyl-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

8012-5548

Molecular Formula

C23H24N2O (C23 H24 N2 O)

Compound Name

5-(cyclohex-3-en-1-yl)-2-methyl-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one

IUPAC name

5-(cyclohex-3-en-1-yl)-2-methyl-5678910-hexahydro-110-diazatetraphen-6-one

SMILES

Cc1ccc(c(C2C3CC=CCC3)c(cc3)NC(CCC4)=C2C4=O)c3n1

InChI

InChI=1S/C23H24N2O/c1-14-10-11-16-17(24-14)12-13-19-22(16)21(15-6-3-2-4-7-15)23-18(25-19)8-5-9-20(23)26/h2-3,10-13,15,21,25H,4-9H2,1H3

InChI Key

SCKBSNSAYTXWKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

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

5.478

Distribution Coefficient, logD

5.458

Water Solubility, LogSw

-5.57

Polar Surface Area

32.599

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

8012-5548 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-5548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5548?
Check Price and Availability of 8012-5548, 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 8012-5548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5548
  • 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 8012-5548 available by request