Y010-0095 Screening compound: 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y010-0095 Screening compound: 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y010-0095 Screening compound: 11-(3,4-dichlorophenyl)-3,3-dimethyl-10-(3-methylbutanoyl)-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 Y010-0095
11-(3,4-dichlorophenyl)-3,3-dimethyl-10-(3-methylbutanoyl)-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

Y010-0095

Molecular Formula

C26H28Cl2N2O2 (C26 H28 Cl2 N2 O2)

Compound Name

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

IUPAC name

10-(34-dichlorophenyl)-1414-dimethyl-9-(3-methylbutanoyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C)CC(N(C1c(cc2)cc(Cl)c2Cl)c(cccc2)c2NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C26H28Cl2N2O2/c1-15(2)11-23(32)30-21-8-6-5-7-19(21)29-20-13-26(3,4)14-22(31)24(20)25(30)16-9-10-17(27)18(28)12-16/h5-10,12,15,25,29H,11,13-14H2,1-4H3/t25-/m0/s1

InChI Key

OIOLMYUCTHFRKR-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01956285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.43

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

6.845

Distribution Coefficient, logD

6.615

Water Solubility, LogSw

-6.39

Polar Surface Area

38.909

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

Y010-0095 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y010-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0095?
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What is the minimum amount of Y010-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0095
  • 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 Y010-0095 available by request