3607-5705 Screening compound: 11-(2-butoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3607-5705 Screening compound: 11-(2-butoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3607-5705 Screening compound: 11-(2-butoxyphenyl)-3-(3,4-dimethoxyphenyl)-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 3607-5705
11-(2-butoxyphenyl)-3-(3,4-dimethoxyphenyl)-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

3607-5705

Molecular Formula

C31H34N2O4 (C31 H34 N2 O4)

Compound Name

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

IUPAC name

10-(2-butoxyphenyl)-14-(34-dimethoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CCCCOc1c(C2Nc(cccc3)c3NC(CC(C3)c(cc4)cc(OC)c4OC)=C2C3=O)cccc1

InChI

InChI=1S/C31H34N2O4/c1-4-5-16-37-27-13-9-6-10-22(27)31-30-25(32-23-11-7-8-12-24(23)33-31)17-21(18-26(30)34)20-14-15-28(35-2)29(19-20)36-3/h6-15,19,21,31-33H,4-5,16-18H2,1-3H3

InChI Key

XBFJCGNIGDUVKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02104504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.564

Distribution Coefficient, logD

6.548

Water Solubility, LogSw

-5.60

Polar Surface Area

59.242

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

8.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.30

3607-5705 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3607-5705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3607-5705?
Check Price and Availability of 3607-5705, 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 3607-5705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3607-5705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3607-5705
  • 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 3607-5705 available by request