C200-5579 Screening compound: 5-(2-hydroxyethyl)-6-methyl-2-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol

C200-5579 Screening compound: 5-(2-hydroxyethyl)-6-methyl-2-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol
C200-5579 Screening compound: 5-(2-hydroxyethyl)-6-methyl-2-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5579
5-(2-hydroxyethyl)-6-methyl-2-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrimidin-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

C200-5579

Molecular Formula

C17H15F3N4O3S (C17 H15 F3 N4 O3 S)

Compound Name

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

IUPAC name

5-(2-hydroxyethyl)-6-methyl-2-[({3-[4-(trifluoromethyl)phenyl]-124-oxadiazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol

SMILES

Cc1nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nc(O)c1CCO

InChI

InChI=1S/C17H15F3N4O3S/c1-9-12(6-7-25)15(26)23-16(21-9)28-8-13-22-14(24-27-13)10-2-4-11(5-3-10)17(18,19)20/h2-5,25H,6-8H2,1H3,(H,21,23,26)

InChI Key

IFBTWZLZBULBKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.334

Distribution Coefficient, logD

3.288

Water Solubility, LogSw

-3.37

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

29.40

References: we are preparing a list of scientific research reports with C200-5579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5579?
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What is the minimum amount of C200-5579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5579
  • 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 C200-5579 available by request