3046-8958 Screening compound: 6-chloro-3-{[4-hydroxy-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-4-phenyl-1,2-dihydroquinolin-2-one

3046-8958 Screening compound: 6-chloro-3-{[4-hydroxy-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-4-phenyl-1,2-dihydroquinolin-2-one
3046-8958 Screening compound: 6-chloro-3-{[4-hydroxy-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-4-phenyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3046-8958
6-chloro-3-{[4-hydroxy-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-4-phenyl-1,2-dihydroquinolin-2-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

3046-8958

Molecular Formula

C20H11ClF3N3O2S (C20 H11 ClF3 N3 O2 S)

Compound Name

6-chloro-3-{[4-hydroxy-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-4-phenyl-1,2-dihydroquinolin-2-one

IUPAC name

6-chloro-3-{[4-hydroxy-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-4-phenyl-12-dihydroquinolin-2-one

SMILES

Oc1cc(C(F)(F)F)nc(SC2=C(c3ccccc3)c(cc(cc3)Cl)c3NC2=O)n1

InChI

InChI=1S/C20H11ClF3N3O2S/c21-11-6-7-13-12(8-11)16(10-4-2-1-3-5-10)17(18(29)25-13)30-19-26-14(20(22,23)24)9-15(28)27-19/h1-9H,(H,25,29)(H,26,27,28)

InChI Key

ZJNXEXXWTWKTBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01956112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.259

Distribution Coefficient, logD

4.612

Water Solubility, LogSw

-5.40

Polar Surface Area

59.125

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

-4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

3046-8958 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Infections
  • Immune system
  • animal
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3046-8958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3046-8958?
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What is the minimum amount of 3046-8958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3046-8958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3046-8958
  • 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 3046-8958 available by request