6364-0071 Screening compound: 11-(2,5-dimethoxyphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

6364-0071 Screening compound: 11-(2,5-dimethoxyphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
6364-0071 Screening compound: 11-(2,5-dimethoxyphenyl)-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 6364-0071
11-(2,5-dimethoxyphenyl)-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

6364-0071

Molecular Formula

C25H30N2O3 (C25 H30 N2 O3)

Compound Name

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

IUPAC name

10-(25-dimethoxyphenyl)-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(cc(cc3)OC)c3OC)=C2C1=O

InChI

InChI=1S/C25H30N2O3/c1-14-9-18-19(10-15(14)2)27-24(17-11-16(29-5)7-8-22(17)30-6)23-20(26-18)12-25(3,4)13-21(23)28/h7-11,24,26-27H,12-13H2,1-6H3/t24-/m0/s1

InChI Key

DXEDTCZNUOQJAS-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD04018539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.184

Distribution Coefficient, logD

5.175

Water Solubility, LogSw

-5.10

Polar Surface Area

51.922

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

6364-0071 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 6364-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6364-0071?
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What is the minimum amount of 6364-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6364-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6364-0071
  • 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 6364-0071 available by request