3807-1641 Screening compound: 6-ethyl-6-methyl-3-phenyl-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

3807-1641 Screening compound: 6-ethyl-6-methyl-3-phenyl-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3807-1641 Screening compound: 6-ethyl-6-methyl-3-phenyl-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 3807-1641
6-ethyl-6-methyl-3-phenyl-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

3807-1641

Molecular Formula

C18H18N2O2S2 (C18 H18 N2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)(C1)OCc2c1c(C(N(c1ccccc1)C(N1)=S)=O)c1s2

InChI

InChI=1S/C18H18N2O2S2/c1-3-18(2)9-12-13(10-22-18)24-15-14(12)16(21)20(17(23)19-15)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,19,23)/t18-/m0/s1

InChI Key

HBYIBPUGYPHFGO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00391354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.916

Distribution Coefficient, logD

3.277

Water Solubility, LogSw

-4.27

Polar Surface Area

34.421

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

-12.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

3807-1641 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3807-1641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-1641?
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What is the minimum amount of 3807-1641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-1641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-1641
  • 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 3807-1641 available by request