4464-0424 Screening compound: 3-(2-methylallyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

4464-0424 Screening compound: 3-(2-methylallyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
4464-0424 Screening compound: 3-(2-methylallyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4464-0424
3-(2-methylallyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-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

4464-0424

Molecular Formula

C14H16N2OS2 (C14 H16 N2 OS2)

Compound Name

3-(2-methylallyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

IUPAC name

4-(2-methylprop-2-en-1-yl)-5-sulfanylidene-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-3-one

SMILES

CC(CN(C(c1c(N2)sc3c1CCCC3)=O)C2=S)=C

InChI

InChI=1S/C14H16N2OS2/c1-8(2)7-16-13(17)11-9-5-3-4-6-10(9)19-12(11)15-14(16)18/h1,3-7H2,2H3,(H,15,18)

InChI Key

KFVNTQPYJUJGSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00809215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.709

Distribution Coefficient, logD

3.560

Water Solubility, LogSw

-4.12

Polar Surface Area

27.412

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

-11.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

4464-0424 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4464-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4464-0424?
Check Price and Availability of 4464-0424, 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 4464-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4464-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4464-0424
  • 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 4464-0424 available by request