5055-7280 Screening compound: 2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-6-phenyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

5055-7280 Screening compound: 2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-6-phenyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
5055-7280 Screening compound: 2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-6-phenyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-7280
2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-6-phenyl-3-(prop-2-en-1-yl)-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

5055-7280

Molecular Formula

C21H19N3O2S2 (C21 H19 N3 O2 S2)

Compound Name

2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-6-phenyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

2-{[(35-dimethyl-12-oxazol-4-yl)methyl]sulfanyl}-6-phenyl-3-(prop-2-en-1-yl)-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

Cc1noc(C)c1CSC(N1CC=C)=Nc(sc(-c2ccccc2)c2)c2C1=O

InChI

InChI=1S/C21H19N3O2S2/c1-4-10-24-20(25)16-11-18(15-8-6-5-7-9-15)28-19(16)22-21(24)27-12-17-13(2)23-26-14(17)3/h4-9,11H,1,10,12H2,2-3H3

InChI Key

RMVRPWYXPKDEHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02654717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.902

Distribution Coefficient, logD

4.902

Water Solubility, LogSw

-4.67

Polar Surface Area

47.690

Acid Dissociation Constant (pKa)

28.56

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

5055-7280 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5055-7280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-7280?
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What is the minimum amount of 5055-7280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-7280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-7280
  • 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 5055-7280 available by request