4469-0554 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-ethyl-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

4469-0554 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-ethyl-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
4469-0554 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-ethyl-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4469-0554
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-ethyl-3-phenyl-3H,4H-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

4469-0554

Molecular Formula

C22H17BrN2O2S2 (C22 H17 BrN2 O2 S2)

Compound Name

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-ethyl-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-ethyl-3-phenyl-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

CCc1cc(C(N(c2ccccc2)C(SCC(c(cc2)ccc2Br)=O)=N2)=O)c2s1

InChI

InChI=1S/C22H17BrN2O2S2/c1-2-17-12-18-20(29-17)24-22(25(21(18)27)16-6-4-3-5-7-16)28-13-19(26)14-8-10-15(23)11-9-14/h3-12H,2,13H2,1H3

InChI Key

JGRGSKSDVHTNKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01044510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.499

Distribution Coefficient, logD

5.499

Water Solubility, LogSw

-5.45

Polar Surface Area

38.309

Acid Dissociation Constant (pKa)

26.94

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

4469-0554 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 4469-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4469-0554?
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What is the minimum amount of 4469-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4469-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4469-0554
  • 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 4469-0554 available by request