3536-0195 Screening compound: 10-(cyclopropylcarbonyl)-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3536-0195 Screening compound: 10-(cyclopropylcarbonyl)-11-(2-furyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3536-0195 Screening compound: 10-(cyclopropylcarbonyl)-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 3536-0195
10-(cyclopropylcarbonyl)-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

3536-0195

Molecular Formula

C23H24N2O3 (C23 H24 N2 O3)

Compound Name

10-(cyclopropylcarbonyl)-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-cyclopropanecarbonyl-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(C3CC3)=O)=C2C1=O

InChI

InChI=1S/C23H24N2O3/c1-23(2)12-16-20(18(26)13-23)21(19-8-5-11-28-19)25(22(27)14-9-10-14)17-7-4-3-6-15(17)24-16/h3-8,11,14,21,24H,9-10,12-13H2,1-2H3/t21-/m0/s1

InChI Key

DNFGPDHQUBMWGK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01958673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

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

3.957

Distribution Coefficient, logD

3.620

Water Solubility, LogSw

-4.22

Polar Surface Area

48.266

Acid Dissociation Constant (pKa)

7.33

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

3536-0195 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Hsp90-Targeted Library (11355 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3536-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3536-0195?
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What is the minimum amount of 3536-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3536-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3536-0195
  • 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 3536-0195 available by request