4676-0742 Screening compound: 2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-{2-[(trifluoromethyl)sulfanyl]phenyl}acetamide

4676-0742 Screening compound: 2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-{2-[(trifluoromethyl)sulfanyl]phenyl}acetamide
4676-0742 Screening compound: 2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-{2-[(trifluoromethyl)sulfanyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4676-0742
2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-{2-[(trifluoromethyl)sulfanyl]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

4676-0742

Molecular Formula

C19H18F3N3O2S (C19 H18 F3 N3 O2 S)

Compound Name

2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-{2-[(trifluoromethyl)sulfanyl]phenyl}acetamide

IUPAC name

2-(67-dimethyl-3-oxo-1234-tetrahydroquinoxalin-2-yl)-N-{2-[(trifluoromethyl)sulfanyl]phenyl}acetamide

SMILES

Cc(c(C)c1)cc(NC2CC(Nc(cccc3)c3SC(F)(F)F)=O)c1NC2=O

InChI

InChI=1S/C19H18F3N3O2S/c1-10-7-13-14(8-11(10)2)25-18(27)15(23-13)9-17(26)24-12-5-3-4-6-16(12)28-19(20,21)22/h3-8,15,23H,9H2,1-2H3,(H,24,26)(H,25,27)/t15-/m0/s1

InChI Key

SNOTUZABHQHXGM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01848144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.463

Distribution Coefficient, logD

4.454

Water Solubility, LogSw

-4.28

Polar Surface Area

59.549

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

4676-0742 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4676-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4676-0742?
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What is the minimum amount of 4676-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4676-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4676-0742
  • 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 4676-0742 available by request