8016-2442 Screening compound: 2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-ol

8016-2442 Screening compound: 2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-ol
8016-2442 Screening compound: 2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2442
2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-ol

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

8016-2442

Molecular Formula

C15H15N3O2S (C15 H15 N3 O2 S)

Compound Name

2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-ol

IUPAC name

448-trimethyl-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-ol

SMILES

CC(C)(Cc1c2c3ncn4)OCc1c(C)nc2sc3c4O

InChI

InChI=1S/C15H15N3O2S/c1-7-9-5-20-15(2,3)4-8(9)10-11-12(21-14(10)18-7)13(19)17-6-16-11/h6H,4-5H2,1-3H3,(H,16,17,19)

InChI Key

MMEQBLLOUQIXGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02237313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.786

Distribution Coefficient, logD

2.474

Water Solubility, LogSw

-2.92

Polar Surface Area

55.409

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8016-2442 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8016-2442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2442?
Check Price and Availability of 8016-2442, 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 8016-2442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2442
  • 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 8016-2442 available by request