4780-0128 Screening compound: 10-benzoyl-3-(2-furyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

4780-0128 Screening compound: 10-benzoyl-3-(2-furyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
4780-0128 Screening compound: 10-benzoyl-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 4780-0128
10-benzoyl-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

4780-0128

Molecular Formula

C33H30N2O6 (C33 H30 N2 O6)

Compound Name

10-benzoyl-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

9-benzoyl-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(C2N(C(c3ccccc3)=O)c(cccc3)c3NC(CC(C3)c4ccco4)=C2C3=O)cc(OC)c1OC

InChI

InChI=1S/C33H30N2O6/c1-38-28-18-22(19-29(39-2)32(28)40-3)31-30-24(16-21(17-26(30)36)27-14-9-15-41-27)34-23-12-7-8-13-25(23)35(31)33(37)20-10-5-4-6-11-20/h4-15,18-19,21,31,34H,16-17H2,1-3H3

InChI Key

LWEDEMYOOUAYRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03267823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.415

Distribution Coefficient, logD

5.384

Water Solubility, LogSw

-5.43

Polar Surface Area

70.449

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.20

References: we are preparing a list of scientific research reports with 4780-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4780-0128?
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What is the minimum amount of 4780-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4780-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4780-0128
  • 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 4780-0128 available by request