C679-2081 Screening compound: 5-({[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-methyl-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one

C679-2081 Screening compound: 5-({[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-methyl-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
C679-2081 Screening compound: 5-({[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-methyl-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-2081
5-({[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-methyl-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-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

C679-2081

Molecular Formula

C16H11FN4O3S (C16 H11 FN4 O3 S)

Compound Name

5-({[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-methyl-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one

IUPAC name

5-({[5-(4-fluorophenyl)-134-oxadiazol-2-yl]sulfanyl}methyl)-2-methyl-7H-[12]oxazolo[23-a]pyrimidin-7-one

SMILES

CC(ON12)=CC2=NC(CSc2nnc(-c(cc3)ccc3F)o2)=CC1=O

InChI

InChI=1S/C16H11FN4O3S/c1-9-6-13-18-12(7-14(22)21(13)24-9)8-25-16-20-19-15(23-16)10-2-4-11(17)5-3-10/h2-7H,8H2,1H3

InChI Key

KEDVABPNECBYCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.781

Distribution Coefficient, logD

1.781

Water Solubility, LogSw

-2.25

Polar Surface Area

68.528

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C679-2081 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C679-2081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-2081?
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What is the minimum amount of C679-2081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-2081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-2081
  • 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 C679-2081 available by request