Y020-6114 Screening compound: 11-(3,5-difluorophenyl)-3-methyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y020-6114 Screening compound: 11-(3,5-difluorophenyl)-3-methyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y020-6114 Screening compound: 11-(3,5-difluorophenyl)-3-methyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6114
11-(3,5-difluorophenyl)-3-methyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-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

Y020-6114

Molecular Formula

C20H18F2N2O (C20 H18 F2 N2 O)

Compound Name

11-(3,5-difluorophenyl)-3-methyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(35-difluorophenyl)-14-methyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C1)CC(Nc(cccc2)c2NC2c3cc(F)cc(F)c3)=C2C1=O

InChI

InChI=1S/C20H18F2N2O/c1-11-6-17-19(18(25)7-11)20(12-8-13(21)10-14(22)9-12)24-16-5-3-2-4-15(16)23-17/h2-5,8-11,20,23-24H,6-7H2,1H3

InChI Key

GZBPDTGPLLOQMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06601569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.496

Distribution Coefficient, logD

4.489

Water Solubility, LogSw

-4.29

Polar Surface Area

36.748

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

Y020-6114 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y020-6114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6114?
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What is the minimum amount of Y020-6114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6114
  • 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 Y020-6114 available by request