C144-0323 Screening compound: ethyl 2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate

C144-0323 Screening compound: ethyl 2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate
C144-0323 Screening compound: ethyl 2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C144-0323
ethyl 2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate

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

C144-0323

Molecular Formula

C19H22N2O4S2 (C19 H22 N2 O4 S2)

Compound Name

ethyl 2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate

IUPAC name

ethyl 2-{[3-(4-ethoxyphenyl)-4-oxo-3H4H6H7H-thieno[32-d]pyrimidin-2-yl]sulfanyl}propanoate

SMILES

CCOC(C(C)SC(N(c(cc1)ccc1OCC)C1=O)=NC2=C1SCC2)=O

InChI

InChI=1S/C19H22N2O4S2/c1-4-24-14-8-6-13(7-9-14)21-17(22)16-15(10-11-26-16)20-19(21)27-12(3)18(23)25-5-2/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m0/s1

InChI Key

AQNATJNPEUUWLR-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02649820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.245

Distribution Coefficient, logD

3.245

Water Solubility, LogSw

-3.44

Polar Surface Area

53.645

Acid Dissociation Constant (pKa)

27.46

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

C144-0323 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C144-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C144-0323?
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What is the minimum amount of C144-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C144-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C144-0323
  • 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 C144-0323 available by request