3683-0292 Screening compound: 6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dithione

3683-0292 Screening compound: 6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dithione
3683-0292 Screening compound: 6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dithione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0292
6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dithione

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

3683-0292

Molecular Formula

C11H12N2OS3 (C11 H12 N2 OS3)

Compound Name

6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dithione

IUPAC name

1212-dimethyl-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dithione

SMILES

CC(C)(C1)OCc2c1c(C(NC(N1)=S)=S)c1s2

InChI

InChI=1S/C11H12N2OS3/c1-11(2)3-5-6(4-14-11)17-9-7(5)8(15)12-10(16)13-9/h3-4H2,1-2H3,(H2,12,13,15,16)

InChI Key

KGTUOCNOFHHETF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01449005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.993

Distribution Coefficient, logD

2.985

Water Solubility, LogSw

-3.22

Polar Surface Area

30.542

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-10.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

3683-0292 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3683-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0292?
Check Price and Availability of 3683-0292, 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 3683-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0292
  • 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 3683-0292 available by request