4333-3857 Screening compound: 2-[(4-methoxybenzyl)sulfanyl]-7-methyl-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

4333-3857 Screening compound: 2-[(4-methoxybenzyl)sulfanyl]-7-methyl-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
4333-3857 Screening compound: 2-[(4-methoxybenzyl)sulfanyl]-7-methyl-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-3857
2-[(4-methoxybenzyl)sulfanyl]-7-methyl-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[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

4333-3857

Molecular Formula

C25H24N2O2S2 (C25 H24 N2 O2 S2)

Compound Name

2-[(4-methoxybenzyl)sulfanyl]-7-methyl-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

5-{[(4-methoxyphenyl)methyl]sulfanyl}-11-methyl-4-phenyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

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

InChI

InChI=1S/C25H24N2O2S2/c1-16-8-13-20-21(14-16)31-23-22(20)24(28)27(18-6-4-3-5-7-18)25(26-23)30-15-17-9-11-19(29-2)12-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3/t16-/m1/s1

InChI Key

XFJVJDABWUYLTP-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02631174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.642

Distribution Coefficient, logD

5.642

Water Solubility, LogSw

-5.54

Polar Surface Area

32.526

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

4333-3857 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 4333-3857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-3857?
Check Price and Availability of 4333-3857, 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 4333-3857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-3857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-3857
  • 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 4333-3857 available by request