Y500-5026 Screening compound: 11-(2,6-dichlorophenyl)-3,3-dimethyl-10-(2-phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y500-5026 Screening compound: 11-(2,6-dichlorophenyl)-3,3-dimethyl-10-(2-phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y500-5026 Screening compound: 11-(2,6-dichlorophenyl)-3,3-dimethyl-10-(2-phenylacetyl)-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 Y500-5026
11-(2,6-dichlorophenyl)-3,3-dimethyl-10-(2-phenylacetyl)-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

Y500-5026

Molecular Formula

C29H26Cl2N2O2 (C29 H26 Cl2 N2 O2)

Compound Name

11-(2,6-dichlorophenyl)-3,3-dimethyl-10-(2-phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(26-dichlorophenyl)-1414-dimethyl-9-(2-phenylacetyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(C2c(c(Cl)ccc3)c3Cl)C(Cc3ccccc3)=O)=C2C1=O

InChI

InChI=1S/C29H26Cl2N2O2/c1-29(2)16-22-27(24(34)17-29)28(26-19(30)11-8-12-20(26)31)33(23-14-7-6-13-21(23)32-22)25(35)15-18-9-4-3-5-10-18/h3-14,28,32H,15-17H2,1-2H3/t28-/m0/s1

InChI Key

YKKXAZLTUJANSV-NDEPHWFRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.44

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

6.102

Distribution Coefficient, logD

6.030

Water Solubility, LogSw

-5.95

Polar Surface Area

38.637

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.14

References: we are preparing a list of scientific research reports with Y500-5026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-5026?
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What is the minimum amount of Y500-5026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-5026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-5026
  • 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 Y500-5026 available by request