Y020-6481 Screening compound: 11-(4-methoxyphenyl)-3-methyl-10-(2-phenoxyacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y020-6481 Screening compound: 11-(4-methoxyphenyl)-3-methyl-10-(2-phenoxyacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y020-6481 Screening compound: 11-(4-methoxyphenyl)-3-methyl-10-(2-phenoxyacetyl)-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 Y020-6481
11-(4-methoxyphenyl)-3-methyl-10-(2-phenoxyacetyl)-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

Y020-6481

Molecular Formula

C29H28N2O4 (C29 H28 N2 O4)

Compound Name

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

IUPAC name

10-(4-methoxyphenyl)-14-methyl-9-(2-phenoxyacetyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C1)CC(Nc(cccc2)c2N(C2c(cc3)ccc3OC)C(COc3ccccc3)=O)=C2C1=O

InChI

InChI=1S/C29H28N2O4/c1-19-16-24-28(26(32)17-19)29(20-12-14-21(34-2)15-13-20)31(25-11-7-6-10-23(25)30-24)27(33)18-35-22-8-4-3-5-9-22/h3-15,19,29-30H,16-18H2,1-2H3

InChI Key

RJAPEJAXVQGLQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06602678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.362

Distribution Coefficient, logD

5.202

Water Solubility, LogSw

-5.41

Polar Surface Area

53.680

Acid Dissociation Constant (pKa)

7.75

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.10

Y020-6481 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-6481 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y020-6481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6481
  • 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 Y020-6481 available by request