3690-0691 Screening compound: 2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromene

3690-0691 Screening compound: 2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromene
3690-0691 Screening compound: 2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromene alternative view

Chemical Structure Depiction of ChemDiv screening compound 3690-0691
2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromene

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

3690-0691

Molecular Formula

C15H20O2 (C15 H20 O2)

Compound Name

2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromene

IUPAC name

488-trimethyl-39-dioxatricyclo[8.4.0.0^{27}]tetradeca-1(14)1012-triene

SMILES

CC1OC2c(cccc3)c3OC(C)(C)C2CC1

InChI

InChI=1S/C15H20O2/c1-10-8-9-12-14(16-10)11-6-4-5-7-13(11)17-15(12,2)3/h4-7,10,12,14H,8-9H2,1-3H3

InChI Key

QTLDMKVNVOUSIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00297840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.545

Distribution Coefficient, logD

3.545

Water Solubility, LogSw

-3.68

Polar Surface Area

15.146

Acid Dissociation Constant (pKa)

24.28

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

60.00

3690-0691 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3690-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3690-0691?
Check Price and Availability of 3690-0691, 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 3690-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3690-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3690-0691
  • 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 3690-0691 available by request