8019-3803 Screening compound: 3-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

8019-3803 Screening compound: 3-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
8019-3803 Screening compound: 3-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3803
3-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]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

8019-3803

Molecular Formula

C19H16N4O2S (C19 H16 N4 O2 S)

Compound Name

3-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

11-{[5-(4-methylphenyl)-134-oxadiazol-2-yl]methyl}-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)9-trien-12-one

SMILES

Cc(cc1)ccc1-c1nnc(CN(C=Nc2c3c(CCC4)c4s2)C3=O)o1

InChI

InChI=1S/C19H16N4O2S/c1-11-5-7-12(8-6-11)17-22-21-15(25-17)9-23-10-20-18-16(19(23)24)13-3-2-4-14(13)26-18/h5-8,10H,2-4,9H2,1H3

InChI Key

SLIJLYARHXMZGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

3.123

Water Solubility, LogSw

-3.33

Polar Surface Area

56.709

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

8019-3803 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8019-3803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3803?
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What is the minimum amount of 8019-3803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3803
  • 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 8019-3803 available by request