Y020-6321 Screening compound: 3-(4-fluorophenyl)-11-(4-methylphenyl)-3,4,5,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1(2H)-one

Y020-6321 Screening compound: 3-(4-fluorophenyl)-11-(4-methylphenyl)-3,4,5,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1(2H)-one
Y020-6321 Screening compound: 3-(4-fluorophenyl)-11-(4-methylphenyl)-3,4,5,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6321
3-(4-fluorophenyl)-11-(4-methylphenyl)-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

Y020-6321

Molecular Formula

C26H22FNOS (C26 H22 FNOS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C2Sc(cccc3)c3NC(CC(C3)c(cc4)ccc4F)=C2C3=O)cc1

InChI

InChI=1S/C26H22FNOS/c1-16-6-8-18(9-7-16)26-25-22(28-21-4-2-3-5-24(21)30-26)14-19(15-23(25)29)17-10-12-20(27)13-11-17/h2-13,19,26,28H,14-15H2,1H3

InChI Key

ZMLXIXDRYDDRAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06192185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.712

Distribution Coefficient, logD

6.712

Water Solubility, LogSw

-5.68

Polar Surface Area

24.329

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

Y020-6321 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y020-6321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6321?
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What is the minimum amount of Y020-6321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6321
  • 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 Y020-6321 available by request