Y020-6144 Screening compound: 11-(2-methoxyphenyl)-3-methyl-3,4,5,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1(2H)-one

Y020-6144 Screening compound: 11-(2-methoxyphenyl)-3-methyl-3,4,5,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1(2H)-one
Y020-6144 Screening compound: 11-(2-methoxyphenyl)-3-methyl-3,4,5,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6144
11-(2-methoxyphenyl)-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

Y020-6144

Molecular Formula

C21H21NO2S (C21 H21 NO2 S)

Compound Name

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

IUPAC name

10-(2-methoxyphenyl)-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(cccc3)c3OC)=C2C1=O

InChI

InChI=1S/C21H21NO2S/c1-13-11-16-20(17(23)12-13)21(14-7-3-5-9-18(14)24-2)25-19-10-6-4-8-15(19)22-16/h3-10,13,21-22H,11-12H2,1-2H3

InChI Key

XVKMRMSNVWXMLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06192275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.231

Distribution Coefficient, logD

5.231

Water Solubility, LogSw

-5.07

Polar Surface Area

32.231

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

Y020-6144 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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 Y020-6144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6144?
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What is the minimum amount of Y020-6144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6144
  • 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 Y020-6144 available by request