5991-0325 Screening compound: 4-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)-2-methoxyphenyl acetate

5991-0325 Screening compound: 4-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)-2-methoxyphenyl acetate
5991-0325 Screening compound: 4-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)-2-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5991-0325
4-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)-2-methoxyphenyl 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

5991-0325

Molecular Formula

C24H26N2O4 (C24 H26 N2 O4)

Compound Name

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

IUPAC name

4-{1414-dimethyl-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-10-yl}-2-methoxyphenyl acetate

SMILES

CC(C)(C1)CC(Nc(cccc2)c2NC2c(cc3)cc(OC)c3OC(C)=O)=C2C1=O

InChI

InChI=1S/C24H26N2O4/c1-14(27)30-20-10-9-15(11-21(20)29-4)23-22-18(12-24(2,3)13-19(22)28)25-16-7-5-6-8-17(16)26-23/h5-11,23,25-26H,12-13H2,1-4H3/t23-/m0/s1

InChI Key

YQGKIMHSUGSSCK-QHCPKHFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.755

Distribution Coefficient, logD

3.744

Water Solubility, LogSw

-4.21

Polar Surface Area

65.216

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

10.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with 5991-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5991-0325?
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What is the minimum amount of 5991-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5991-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5991-0325
  • 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 5991-0325 available by request