3805-1415 Screening compound: 10-benzoyl-11-(2-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3805-1415 Screening compound: 10-benzoyl-11-(2-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3805-1415 Screening compound: 10-benzoyl-11-(2-methoxyphenyl)-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 3805-1415
10-benzoyl-11-(2-methoxyphenyl)-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

3805-1415

Molecular Formula

C27H24N2O3 (C27 H24 N2 O3)

Compound Name

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

IUPAC name

9-benzoyl-10-(2-methoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

COc1c(C2N(C(c3ccccc3)=O)c(cccc3)c3NC(CCC3)=C2C3=O)cccc1

InChI

InChI=1S/C27H24N2O3/c1-32-24-17-8-5-12-19(24)26-25-21(14-9-16-23(25)30)28-20-13-6-7-15-22(20)29(26)27(31)18-10-3-2-4-11-18/h2-8,10-13,15,17,26,28H,9,14,16H2,1H3/t26-/m0/s1

InChI Key

HTBUVMLTUBEVTR-SANMLTNESA-N

MDL Number (MFCD)

MFCD14708734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.896

Distribution Coefficient, logD

4.885

Water Solubility, LogSw

-4.64

Polar Surface Area

46.795

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

3805-1415 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3805-1415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3805-1415?
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What is the minimum amount of 3805-1415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3805-1415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3805-1415
  • 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 3805-1415 available by request