4463-2922 Screening compound: methyl 2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate

4463-2922 Screening compound: methyl 2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
4463-2922 Screening compound: methyl 2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4463-2922
methyl 2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate

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

4463-2922

Molecular Formula

C18H16N2O3S2 (C18 H16 N2 O3 S2)

Compound Name

methyl 2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate

IUPAC name

methyl 2-({12-oxo-11-phenyl-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)9-trien-10-yl}sulfanyl)acetate

SMILES

COC(CSC(N1c2ccccc2)=Nc(sc2c3CCC2)c3C1=O)=O

InChI

InChI=1S/C18H16N2O3S2/c1-23-14(21)10-24-18-19-16-15(12-8-5-9-13(12)25-16)17(22)20(18)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3

InChI Key

UKRMGLJFLFFZKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01447747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.111

Distribution Coefficient, logD

3.111

Water Solubility, LogSw

-3.38

Polar Surface Area

46.199

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 4463-2922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4463-2922?
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What is the minimum amount of 4463-2922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4463-2922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4463-2922
  • 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 4463-2922 available by request