2610-4151 Screening compound: 11-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

2610-4151 Screening compound: 11-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
2610-4151 Screening compound: 11-[4-(dimethylamino)phenyl]-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 2610-4151
11-[4-(dimethylamino)phenyl]-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

2610-4151

Molecular Formula

C28H29N3O2 (C28 H29 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c1ccc(C2Nc(cccc3)c3NC(CC(C3)c(cc4)ccc4OC)=C2C3=O)cc1

InChI

InChI=1S/C28H29N3O2/c1-31(2)21-12-8-19(9-13-21)28-27-25(29-23-6-4-5-7-24(23)30-28)16-20(17-26(27)32)18-10-14-22(33-3)15-11-18/h4-15,20,28-30H,16-17H2,1-3H3

InChI Key

LYLCHAAMYDNCQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01605879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.349

Distribution Coefficient, logD

5.319

Water Solubility, LogSw

-5.36

Polar Surface Area

46.825

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

2610-4151 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 2610-4151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2610-4151?
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What is the minimum amount of 2610-4151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2610-4151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2610-4151
  • 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 2610-4151 available by request