3058-5047 Screening compound: 11-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3058-5047 Screening compound: 11-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3058-5047 Screening compound: 11-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-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 3058-5047
11-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-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

3058-5047

Molecular Formula

C34H32N2O4 (C34 H32 N2 O4)

Compound Name

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

IUPAC name

10-[4-(benzyloxy)-3-methoxyphenyl]-14-(4-methoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

COc1ccc(C(C2)CC(Nc(cccc3)c3NC3c(cc4)cc(OC)c4OCc4ccccc4)=C3C2=O)cc1

InChI

InChI=1S/C34H32N2O4/c1-38-26-15-12-23(13-16-26)25-18-29-33(30(37)19-25)34(36-28-11-7-6-10-27(28)35-29)24-14-17-31(32(20-24)39-2)40-21-22-8-4-3-5-9-22/h3-17,20,25,34-36H,18-19,21H2,1-2H3

InChI Key

OKXGTSMGTRALDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.562

Distribution Coefficient, logD

6.545

Water Solubility, LogSw

-5.72

Polar Surface Area

58.965

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.60

References: we are preparing a list of scientific research reports with 3058-5047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3058-5047?
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What is the minimum amount of 3058-5047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3058-5047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3058-5047
  • 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 3058-5047 available by request