Y010-1916 Screening compound: 10-benzoyl-3-(4-methylphenyl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y010-1916 Screening compound: 10-benzoyl-3-(4-methylphenyl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y010-1916 Screening compound: 10-benzoyl-3-(4-methylphenyl)-11-phenyl-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 Y010-1916
10-benzoyl-3-(4-methylphenyl)-11-phenyl-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

Y010-1916

Molecular Formula

C33H28N2O2 (C33 H28 N2 O2)

Compound Name

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

IUPAC name

9-benzoyl-14-(4-methylphenyl)-10-phenyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

Cc1ccc(C(C2)CC(Nc(cccc3)c3N(C3c4ccccc4)C(c4ccccc4)=O)=C3C2=O)cc1

InChI

InChI=1S/C33H28N2O2/c1-22-16-18-23(19-17-22)26-20-28-31(30(36)21-26)32(24-10-4-2-5-11-24)35(29-15-9-8-14-27(29)34-28)33(37)25-12-6-3-7-13-25/h2-19,26,32,34H,20-21H2,1H3

InChI Key

HOONQMAPLUALQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.995

Distribution Coefficient, logD

6.953

Water Solubility, LogSw

-5.81

Polar Surface Area

38.893

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.15

Y010-1916 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y010-1916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1916?
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What is the minimum amount of Y010-1916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1916
  • 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 Y010-1916 available by request