4333-3573 Screening compound: 2-[(4-bromobenzyl)sulfanyl]-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

4333-3573 Screening compound: 2-[(4-bromobenzyl)sulfanyl]-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
4333-3573 Screening compound: 2-[(4-bromobenzyl)sulfanyl]-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-3573
2-[(4-bromobenzyl)sulfanyl]-3-(4-methylphenyl)-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

4333-3573

Molecular Formula

C24H21BrN2OS2 (C24 H21 BrN2 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N1C(SCc(cc2)ccc2Br)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C24H21BrN2OS2/c1-15-6-12-18(13-7-15)27-23(28)21-19-4-2-3-5-20(19)30-22(21)26-24(27)29-14-16-8-10-17(25)11-9-16/h6-13H,2-5,14H2,1H3

InChI Key

YEEZNVQQNGQGFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02631093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.604

Distribution Coefficient, logD

6.604

Water Solubility, LogSw

-5.65

Polar Surface Area

24.982

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4333-3573 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4333-3573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-3573?
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What is the minimum amount of 4333-3573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-3573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-3573
  • 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 4333-3573 available by request