6049-1905 Screening compound: 11-[4-(diethylamino)phenyl]-3-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

6049-1905 Screening compound: 11-[4-(diethylamino)phenyl]-3-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
6049-1905 Screening compound: 11-[4-(diethylamino)phenyl]-3-(2-furyl)-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 6049-1905
11-[4-(diethylamino)phenyl]-3-(2-furyl)-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

6049-1905

Molecular Formula

C27H29N3O2 (C27 H29 N3 O2)

Compound Name

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

IUPAC name

10-[4-(diethylamino)phenyl]-14-(furan-2-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CCN(CC)c1ccc(C2Nc(cccc3)c3NC(CC(C3)c4ccco4)=C2C3=O)cc1

InChI

InChI=1S/C27H29N3O2/c1-3-30(4-2)20-13-11-18(12-14-20)27-26-23(28-21-8-5-6-9-22(21)29-27)16-19(17-24(26)31)25-10-7-15-32-25/h5-15,19,27-29H,3-4,16-17H2,1-2H3

InChI Key

LOHBBIJNKKFBPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01922793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.206

Distribution Coefficient, logD

4.905

Water Solubility, LogSw

-5.04

Polar Surface Area

47.791

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

9.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

6049-1905 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 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 6049-1905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1905?
Check Price and Availability of 6049-1905, 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 6049-1905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1905
  • 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 6049-1905 available by request