Y020-6112 Screening compound: 11-(4-fluorophenyl)-3-methyl-3,4,5,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1(2H)-one

Y020-6112 Screening compound: 11-(4-fluorophenyl)-3-methyl-3,4,5,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1(2H)-one
Y020-6112 Screening compound: 11-(4-fluorophenyl)-3-methyl-3,4,5,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6112
11-(4-fluorophenyl)-3-methyl-3,4,5,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1(2H)-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

Y020-6112

Molecular Formula

C20H18FNOS (C20 H18 FNOS)

Compound Name

11-(4-fluorophenyl)-3-methyl-3,4,5,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1(2H)-one

IUPAC name

10-(4-fluorophenyl)-14-methyl-9-thia-2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C1)CC(Nc(cccc2)c2SC2c(cc3)ccc3F)=C2C1=O

InChI

InChI=1S/C20H18FNOS/c1-12-10-16-19(17(23)11-12)20(13-6-8-14(21)9-7-13)24-18-5-3-2-4-15(18)22-16/h2-9,12,20,22H,10-11H2,1H3

InChI Key

VIBQRHWTFZQAMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06192274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.184

Distribution Coefficient, logD

5.184

Water Solubility, LogSw

-4.97

Polar Surface Area

24.601

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

Y020-6112 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-6112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6112?
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What is the minimum amount of Y020-6112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6112
  • 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 Y020-6112 available by request