C200-5580 Screening compound: 2-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4-ol

C200-5580 Screening compound: 2-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4-ol
C200-5580 Screening compound: 2-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5580
2-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4-ol

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

C200-5580

Molecular Formula

C16H15FN4O3S (C16 H15 FN4 O3 S)

Compound Name

2-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4-ol

IUPAC name

2-({[3-(4-fluorophenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4-ol

SMILES

Cc1nc(SCc2nc(-c(cc3)ccc3F)no2)nc(O)c1CCO

InChI

InChI=1S/C16H15FN4O3S/c1-9-12(6-7-22)15(23)20-16(18-9)25-8-13-19-14(21-24-13)10-2-4-11(17)5-3-10/h2-5,22H,6-8H2,1H3,(H,18,20,23)

InChI Key

OXYFVLRJTBUGFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.490

Distribution Coefficient, logD

2.445

Water Solubility, LogSw

-2.42

Polar Surface Area

82.796

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C200-5580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5580?
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What is the minimum amount of C200-5580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5580
  • 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 C200-5580 available by request