4333-3517 Screening compound: 5,6-dimethyl-2-[(3-methylbutyl)sulfanyl]-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

4333-3517 Screening compound: 5,6-dimethyl-2-[(3-methylbutyl)sulfanyl]-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
4333-3517 Screening compound: 5,6-dimethyl-2-[(3-methylbutyl)sulfanyl]-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-3517
5,6-dimethyl-2-[(3-methylbutyl)sulfanyl]-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-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

4333-3517

Molecular Formula

C19H22N2OS2 (C19 H22 N2 OS2)

Compound Name

5,6-dimethyl-2-[(3-methylbutyl)sulfanyl]-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

56-dimethyl-2-[(3-methylbutyl)sulfanyl]-3-phenyl-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

CC(C)CCSC(N1c2ccccc2)=Nc(sc(C)c2C)c2C1=O

InChI

InChI=1S/C19H22N2OS2/c1-12(2)10-11-23-19-20-17-16(13(3)14(4)24-17)18(22)21(19)15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3

InChI Key

WESWWMGUMPLZHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02631050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.141

Distribution Coefficient, logD

5.141

Water Solubility, LogSw

-5.08

Polar Surface Area

25.333

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 4333-3517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-3517?
Check Price and Availability of 4333-3517, 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 4333-3517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-3517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-3517
  • 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 4333-3517 available by request