3448-3651 Screening compound: 4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzonitrile

3448-3651 Screening compound: 4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzonitrile
3448-3651 Screening compound: 4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-3651
4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzonitrile

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

3448-3651

Molecular Formula

C24H25NO3 (C24 H25 NO3)

Compound Name

4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzonitrile

IUPAC name

4-(3366-tetramethyl-18-dioxo-23456789-octahydro-1H-xanthen-9-yl)benzonitrile

SMILES

CC(C)(C1)CC(OC(CC(C)(C)C2)=C(C3c(cc4)ccc4C#N)C2=O)=C3C1=O

InChI

InChI=1S/C24H25NO3/c1-23(2)9-16(26)21-18(11-23)28-19-12-24(3,4)10-17(27)22(19)20(21)15-7-5-14(13-25)6-8-15/h5-8,20H,9-12H2,1-4H3

InChI Key

UHUDMRVJPUYKBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00521093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.738

Distribution Coefficient, logD

3.738

Water Solubility, LogSw

-4.28

Polar Surface Area

50.454

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

3448-3651 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3448-3651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-3651?
Check Price and Availability of 3448-3651, 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 3448-3651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-3651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-3651
  • 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 3448-3651 available by request