2610-4164 Screening compound: 3-(4-methoxyphenyl)-11-(2,3,4-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

2610-4164 Screening compound: 3-(4-methoxyphenyl)-11-(2,3,4-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
2610-4164 Screening compound: 3-(4-methoxyphenyl)-11-(2,3,4-trimethoxyphenyl)-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 2610-4164
3-(4-methoxyphenyl)-11-(2,3,4-trimethoxyphenyl)-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

2610-4164

Molecular Formula

C29H30N2O5 (C29 H30 N2 O5)

Compound Name

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

IUPAC name

14-(4-methoxyphenyl)-10-(234-trimethoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

COc1ccc(C(C2)CC(Nc(cccc3)c3NC3c(ccc(OC)c4OC)c4OC)=C3C2=O)cc1

InChI

InChI=1S/C29H30N2O5/c1-33-19-11-9-17(10-12-19)18-15-23-26(24(32)16-18)27(31-22-8-6-5-7-21(22)30-23)20-13-14-25(34-2)29(36-4)28(20)35-3/h5-14,18,27,30-31H,15-16H2,1-4H3

InChI Key

FYNNJGLCGRYEOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01605891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.266

Distribution Coefficient, logD

5.250

Water Solubility, LogSw

-5.23

Polar Surface Area

67.085

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.60

2610-4164 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 2610-4164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2610-4164?
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What is the minimum amount of 2610-4164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2610-4164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2610-4164
  • 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 2610-4164 available by request