Y010-0353 Screening compound: 11-(3-chlorophenyl)-3-(4-methylphenyl)-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y010-0353 Screening compound: 11-(3-chlorophenyl)-3-(4-methylphenyl)-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y010-0353 Screening compound: 11-(3-chlorophenyl)-3-(4-methylphenyl)-10-propionyl-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 Y010-0353
11-(3-chlorophenyl)-3-(4-methylphenyl)-10-propionyl-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

Y010-0353

Molecular Formula

C29H27ClN2O2 (C29 H27 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(C1c2cccc(Cl)c2)c(cccc2)c2NC(CC(C2)c3ccc(C)cc3)=C1C2=O)=O

InChI

InChI=1S/C29H27ClN2O2/c1-3-27(34)32-25-10-5-4-9-23(25)31-24-16-21(19-13-11-18(2)12-14-19)17-26(33)28(24)29(32)20-7-6-8-22(30)15-20/h4-15,21,29,31H,3,16-17H2,1-2H3

InChI Key

OXZYGFKXDFQNSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06244661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471

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

6.800

Distribution Coefficient, logD

6.480

Water Solubility, LogSw

-6.36

Polar Surface Area

38.637

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with Y010-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0353?
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What is the minimum amount of Y010-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0353
  • 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 Y010-0353 available by request