3064-5081 Screening compound: 2-ethoxy-4-[3-(4-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate

3064-5081 Screening compound: 2-ethoxy-4-[3-(4-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate
3064-5081 Screening compound: 2-ethoxy-4-[3-(4-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3064-5081
2-ethoxy-4-[3-(4-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate

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

3064-5081

Molecular Formula

C30H30N2O5 (C30 H30 N2 O5)

Compound Name

2-ethoxy-4-[3-(4-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate

IUPAC name

2-ethoxy-4-[14-(4-methoxyphenyl)-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-10-yl]phenyl acetate

SMILES

CCOc(cc(C1Nc(cccc2)c2NC(CC(C2)c(cc3)ccc3OC)=C1C2=O)cc1)c1OC(C)=O

InChI

InChI=1S/C30H30N2O5/c1-4-36-28-17-20(11-14-27(28)37-18(2)33)30-29-25(31-23-7-5-6-8-24(23)32-30)15-21(16-26(29)34)19-9-12-22(35-3)13-10-19/h5-14,17,21,30-32H,4,15-16H2,1-3H3

InChI Key

PETMOAGLWOVPJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.080

Distribution Coefficient, logD

5.063

Water Solubility, LogSw

-4.93

Polar Surface Area

72.068

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with 3064-5081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3064-5081?
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What is the minimum amount of 3064-5081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3064-5081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3064-5081
  • 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 3064-5081 available by request