Y010-0087 Screening compound: 10-(4-chlorobenzoyl)-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y010-0087 Screening compound: 10-(4-chlorobenzoyl)-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y010-0087 Screening compound: 10-(4-chlorobenzoyl)-11-(2-furyl)-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 Y010-0087
10-(4-chlorobenzoyl)-11-(2-furyl)-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

Y010-0087

Molecular Formula

C26H23ClN2O3 (C26 H23 ClN2 O3)

Compound Name

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

IUPAC name

9-(4-chlorobenzoyl)-10-(furan-2-yl)-1414-dimethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(C2c3ccco3)C(c(cc3)ccc3Cl)=O)=C2C1=O

InChI

InChI=1S/C26H23ClN2O3/c1-26(2)14-19-23(21(30)15-26)24(22-8-5-13-32-22)29(20-7-4-3-6-18(20)28-19)25(31)16-9-11-17(27)12-10-16/h3-13,24,28H,14-15H2,1-2H3/t24-/m0/s1

InChI Key

NZUPJUOBQUUWIH-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01826871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.271

Distribution Coefficient, logD

5.226

Water Solubility, LogSw

-5.87

Polar Surface Area

47.743

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

Y010-0087 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 Y010-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0087?
Check Price and Availability of Y010-0087, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y010-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0087
  • 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 Y010-0087 available by request