8019-6715 Screening compound: 3-(2-furyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8019-6715 Screening compound: 3-(2-furyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8019-6715 Screening compound: 3-(2-furyl)-11-(3,4,5-trimethoxyphenyl)-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 8019-6715
3-(2-furyl)-11-(3,4,5-trimethoxyphenyl)-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

8019-6715

Molecular Formula

C26H26N2O5 (C26 H26 N2 O5)

Compound Name

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

IUPAC name

14-(furan-2-yl)-10-(345-trimethoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

COc1cc(C2Nc(cccc3)c3NC(CC(C3)c4ccco4)=C2C3=O)cc(OC)c1OC

InChI

InChI=1S/C26H26N2O5/c1-30-22-13-16(14-23(31-2)26(22)32-3)25-24-19(27-17-7-4-5-8-18(17)28-25)11-15(12-20(24)29)21-9-6-10-33-21/h4-10,13-15,25,27-28H,11-12H2,1-3H3

InChI Key

VOONULXUNBRPOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06191771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.40

Polar Surface Area

68.033

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

10.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.90

8019-6715 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-6715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6715?
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What is the minimum amount of 8019-6715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6715
  • 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 8019-6715 available by request