5627-0006 Screening compound: 3-benzyl-6-isopropyl-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

5627-0006 Screening compound: 3-benzyl-6-isopropyl-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
5627-0006 Screening compound: 3-benzyl-6-isopropyl-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5627-0006
3-benzyl-6-isopropyl-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]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

5627-0006

Molecular Formula

C19H20N2O2S2 (C19 H20 N2 O2 S2)

Compound Name

3-benzyl-6-isopropyl-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

4-benzyl-12-(propan-2-yl)-5-sulfanylidene-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-3-one

SMILES

CC(C)C(C1)OCc2c1c(C(N(Cc1ccccc1)C(N1)=S)=O)c1s2

InChI

InChI=1S/C19H20N2O2S2/c1-11(2)14-8-13-15(10-23-14)25-17-16(13)18(22)21(19(24)20-17)9-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H,20,24)/t14-/m1/s1

InChI Key

DTDGVQCCNJPUAD-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03810698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.537

Distribution Coefficient, logD

4.457

Water Solubility, LogSw

-4.44

Polar Surface Area

35.493

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

-11.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

5627-0006 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5627-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5627-0006?
Check Price and Availability of 5627-0006, 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 5627-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5627-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5627-0006
  • 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 5627-0006 available by request