3683-0433 Screening compound: 3-phenethyl-7-propyl-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

3683-0433 Screening compound: 3-phenethyl-7-propyl-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
3683-0433 Screening compound: 3-phenethyl-7-propyl-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0433
3-phenethyl-7-propyl-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-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

3683-0433

Molecular Formula

C20H23N3OS2 (C20 H23 N3 OS2)

Compound Name

3-phenethyl-7-propyl-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

4-(2-phenylethyl)-11-propyl-5-sulfanyl-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CCCN(CC1)Cc2c1c(C(N(CCc1ccccc1)C(S)=N1)=O)c1s2

InChI

InChI=1S/C20H23N3OS2/c1-2-10-22-11-9-15-16(13-22)26-18-17(15)19(24)23(20(25)21-18)12-8-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,21,25)

InChI Key

CKFVQANXRYWODQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01996059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.930

Distribution Coefficient, logD

0.348

Water Solubility, LogSw

-4.20

Polar Surface Area

29.074

Acid Dissociation Constant (pKa)

3.82

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

3683-0433 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3683-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0433?
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What is the minimum amount of 3683-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0433
  • 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 3683-0433 available by request