8014-2352 Screening compound: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2,5-dimethylphenyl methyl ether

8014-2352 Screening compound: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2,5-dimethylphenyl methyl ether
8014-2352 Screening compound: 4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2,5-dimethylphenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2352
4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2,5-dimethylphenyl methyl ether

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

8014-2352

Molecular Formula

C25H30N2O3 (C25 H30 N2 O3)

Compound Name

4-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2,5-dimethylphenyl methyl ether

IUPAC name

1213-diethoxy-7-(4-methoxy-25-dimethylphenyl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(14)351012-pentaene

SMILES

CCOc(cc(CNC(c1cccn1-1)c(cc2C)c(C)cc2OC)c1c1)c1OCC

InChI

InChI=1S/C25H30N2O3/c1-6-29-23-13-18-15-26-25(19-11-17(4)22(28-5)12-16(19)3)20-9-8-10-27(20)21(18)14-24(23)30-7-2/h8-14,25-26H,6-7,15H2,1-5H3/t25-/m0/s1

InChI Key

UMNFUBGCQCAOLZ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03768297

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

406.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.481

Distribution Coefficient, logD

1.359

Water Solubility, LogSw

-4.35

Polar Surface Area

36.096

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

10.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

8014-2352 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8014-2352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2352?
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What is the minimum amount of 8014-2352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2352
  • 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 8014-2352 available by request