3805-1455 Screening compound: 10-benzoyl-11-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3805-1455 Screening compound: 10-benzoyl-11-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3805-1455 Screening compound: 10-benzoyl-11-(3,4-dimethoxyphenyl)-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 3805-1455
10-benzoyl-11-(3,4-dimethoxyphenyl)-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

3805-1455

Molecular Formula

C28H26N2O4 (C28 H26 N2 O4)

Compound Name

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

IUPAC name

9-benzoyl-10-(34-dimethoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

COc(ccc(C1N(C(c2ccccc2)=O)c(cccc2)c2NC(CCC2)=C1C2=O)c1)c1OC

InChI

InChI=1S/C28H26N2O4/c1-33-24-16-15-19(17-25(24)34-2)27-26-21(12-8-14-23(26)31)29-20-11-6-7-13-22(20)30(27)28(32)18-9-4-3-5-10-18/h3-7,9-11,13,15-17,27,29H,8,12,14H2,1-2H3/t27-/m0/s1

InChI Key

YZXCDKFJMSXGIH-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02640407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

4.416

Water Solubility, LogSw

-4.43

Polar Surface Area

54.425

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

3805-1455 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 3805-1455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3805-1455?
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What is the minimum amount of 3805-1455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3805-1455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3805-1455
  • 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 3805-1455 available by request