3807-4529 Screening compound: 2-[2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-1-methyl-2-oxoethyl]-1H-isoindole-1,3(2H)-dione

3807-4529 Screening compound: 2-[2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-1-methyl-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
3807-4529 Screening compound: 2-[2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-1-methyl-2-oxoethyl]-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-4529
2-[2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-1-methyl-2-oxoethyl]-1H-isoindole-1,3(2H)-dione

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

3807-4529

Molecular Formula

C25H20N2O3 (C25 H20 N2 O3)

Compound Name

2-[2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-1-methyl-2-oxoethyl]-1H-isoindole-1,3(2H)-dione

IUPAC name

2-(1-{2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-2-yl}-1-oxopropan-2-yl)-23-dihydro-1H-isoindole-13-dione

SMILES

CC(C(N(c1c(CC2)cccc1)c1c2cccc1)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C25H20N2O3/c1-16(26-24(29)19-10-4-5-11-20(19)25(26)30)23(28)27-21-12-6-2-8-17(21)14-15-18-9-3-7-13-22(18)27/h2-13,16H,14-15H2,1H3/t16-/m0/s1

InChI Key

NWCPHIHKFFVVGG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01363201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.889

Distribution Coefficient, logD

4.889

Water Solubility, LogSw

-4.65

Polar Surface Area

43.066

Acid Dissociation Constant (pKa)

18.92

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

3807-4529 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3807-4529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-4529?
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What is the minimum amount of 3807-4529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-4529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-4529
  • 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 3807-4529 available by request