3807-1188 Screening compound: 3-benzyl-2-(ethylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

3807-1188 Screening compound: 3-benzyl-2-(ethylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3807-1188 Screening compound: 3-benzyl-2-(ethylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-1188
3-benzyl-2-(ethylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-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

3807-1188

Molecular Formula

C20H22N2O2S2 (C20 H22 N2 O2 S2)

Compound Name

3-benzyl-2-(ethylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

4-benzyl-5-(ethylsulfanyl)-1212-dimethyl-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CCSC(N1Cc2ccccc2)=Nc(sc2c3CC(C)(C)OC2)c3C1=O

InChI

InChI=1S/C20H22N2O2S2/c1-4-25-19-21-17-16(14-10-20(2,3)24-12-15(14)26-17)18(23)22(19)11-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3

InChI Key

DZYBAASWVPIIOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01242485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.927

Distribution Coefficient, logD

4.927

Water Solubility, LogSw

-4.85

Polar Surface Area

33.562

Acid Dissociation Constant (pKa)

25.82

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 3807-1188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-1188?
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What is the minimum amount of 3807-1188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-1188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-1188
  • 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 3807-1188 available by request