Y600-1246 Screening compound: 10-benzyl-11-(3,4-dichlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y600-1246 Screening compound: 10-benzyl-11-(3,4-dichlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y600-1246 Screening compound: 10-benzyl-11-(3,4-dichlorophenyl)-3,3-dimethyl-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 Y600-1246
10-benzyl-11-(3,4-dichlorophenyl)-3,3-dimethyl-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

Y600-1246

Molecular Formula

C28H26Cl2N2O (C28 H26 Cl2 N2 O)

Compound Name

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

IUPAC name

9-benzyl-10-(34-dichlorophenyl)-1414-dimethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(Cc2ccccc2)C2c(cc3)cc(Cl)c3Cl)=C2C1=O

InChI

InChI=1S/C28H26Cl2N2O/c1-28(2)15-23-26(25(33)16-28)27(19-12-13-20(29)21(30)14-19)32(17-18-8-4-3-5-9-18)24-11-7-6-10-22(24)31-23/h3-14,27,31H,15-17H2,1-2H3/t27-/m0/s1

InChI Key

RPMUOYJYXZYPJN-MHZLTWQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.536

Distribution Coefficient, logD

7.521

Water Solubility, LogSw

-6.41

Polar Surface Area

26.580

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with Y600-1246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-1246?
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What is the minimum amount of Y600-1246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-1246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-1246
  • 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 Y600-1246 available by request