8012-0496 Screening compound: 2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide

8012-0496 Screening compound: 2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
8012-0496 Screening compound: 2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0496
2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide

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

8012-0496

Molecular Formula

C16H16F3N3O3S (C16 H16 F3 N3 O3 S)

Compound Name

2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide

IUPAC name

2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide

SMILES

CCCc1nc(SCC(Nc(cc2)ccc2OC(F)(F)F)=O)nc(O)c1

InChI

InChI=1S/C16H16F3N3O3S/c1-2-3-11-8-13(23)22-15(21-11)26-9-14(24)20-10-4-6-12(7-5-10)25-16(17,18)19/h4-8H,2-3,9H2,1H3,(H,20,24)(H,21,22,23)

InChI Key

SOAILDRDFUKNHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02321034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.498

Distribution Coefficient, logD

4.408

Water Solubility, LogSw

-4.31

Polar Surface Area

64.100

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

8012-0496 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0496?
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What is the minimum amount of 8012-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0496
  • 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 8012-0496 available by request