3058-5038 Screening compound: 3-(4-methoxyphenyl)-11-(3-methoxy-4-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3058-5038 Screening compound: 3-(4-methoxyphenyl)-11-(3-methoxy-4-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3058-5038 Screening compound: 3-(4-methoxyphenyl)-11-(3-methoxy-4-propoxyphenyl)-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 3058-5038
3-(4-methoxyphenyl)-11-(3-methoxy-4-propoxyphenyl)-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

3058-5038

Molecular Formula

C30H32N2O4 (C30 H32 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(ccc(C1Nc(cccc2)c2NC(CC(C2)c(cc3)ccc3OC)=C1C2=O)c1)c1OC

InChI

InChI=1S/C30H32N2O4/c1-4-15-36-27-14-11-20(18-28(27)35-3)30-29-25(31-23-7-5-6-8-24(23)32-30)16-21(17-26(29)33)19-9-12-22(34-2)13-10-19/h5-14,18,21,30-32H,4,15-17H2,1-3H3

InChI Key

CNPWALFYVSZFHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

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

6.043

Distribution Coefficient, logD

6.026

Water Solubility, LogSw

-5.52

Polar Surface Area

59.155

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

3058-5038 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 3058-5038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3058-5038?
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What is the minimum amount of 3058-5038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3058-5038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3058-5038
  • 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 3058-5038 available by request