4333-3751 Screening compound: 2-[(4-methoxybenzyl)sulfanyl]-7-methyl-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

4333-3751 Screening compound: 2-[(4-methoxybenzyl)sulfanyl]-7-methyl-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
4333-3751 Screening compound: 2-[(4-methoxybenzyl)sulfanyl]-7-methyl-3-phenyl-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 4333-3751
2-[(4-methoxybenzyl)sulfanyl]-7-methyl-3-phenyl-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

4333-3751

Molecular Formula

C24H23N3O2S2 (C24 H23 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)Cc2c1c(C(N(c1ccccc1)C(SCc(cc1)ccc1OC)=N1)=O)c1s2

InChI

InChI=1S/C24H23N3O2S2/c1-26-13-12-19-20(14-26)31-22-21(19)23(28)27(17-6-4-3-5-7-17)24(25-22)30-15-16-8-10-18(29-2)11-9-16/h3-11H,12-15H2,1-2H3

InChI Key

GYXPPGLQRCZYBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01853342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.858

Distribution Coefficient, logD

3.847

Water Solubility, LogSw

-4.29

Polar Surface Area

35.936

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

5.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4333-3751 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4333-3751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-3751?
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What is the minimum amount of 4333-3751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-3751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-3751
  • 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 4333-3751 available by request