3705-5843 Screening compound: 11-(2-bromo-3,4,5-trimethoxyphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3705-5843 Screening compound: 11-(2-bromo-3,4,5-trimethoxyphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3705-5843 Screening compound: 11-(2-bromo-3,4,5-trimethoxyphenyl)-3,3,7,8-tetramethyl-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 3705-5843
11-(2-bromo-3,4,5-trimethoxyphenyl)-3,3,7,8-tetramethyl-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

3705-5843

Molecular Formula

C26H31BrN2O4 (C26 H31 BrN2 O4)

Compound Name

11-(2-bromo-3,4,5-trimethoxyphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(2-bromo-345-trimethoxyphenyl)-561414-tetramethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cc(C)c(C)c2)c2NC2c(c(Br)c3OC)cc(OC)c3OC)=C2C1=O

InChI

InChI=1S/C26H31BrN2O4/c1-13-8-16-17(9-14(13)2)29-23(21-18(28-16)11-26(3,4)12-19(21)30)15-10-20(31-5)24(32-6)25(33-7)22(15)27/h8-10,23,28-29H,11-12H2,1-7H3/t23-/m0/s1

InChI Key

WDUZTMCWTIJANI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02105008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.365

Distribution Coefficient, logD

5.359

Water Solubility, LogSw

-5.31

Polar Surface Area

59.813

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

12.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with 3705-5843 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3705-5843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3705-5843
  • 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 3705-5843 available by request