4886-7689 Screening compound: 11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

4886-7689 Screening compound: 11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
4886-7689 Screening compound: 11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,3-dimethyl-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 4886-7689
11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,3-dimethyl-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

4886-7689

Molecular Formula

C23H25BrN2O3 (C23 H25 BrN2 O3)

Compound Name

11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1414-dimethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CCOc1cc(C2Nc(cccc3)c3NC(CC(C)(C)C3)=C2C3=O)cc(Br)c1O

InChI

InChI=1S/C23H25BrN2O3/c1-4-29-19-10-13(9-14(24)22(19)28)21-20-17(11-23(2,3)12-18(20)27)25-15-7-5-6-8-16(15)26-21/h5-10,21,25-26,28H,4,11-12H2,1-3H3/t21-/m0/s1

InChI Key

ZHWGMJDUQZGFAC-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03371121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.826

Distribution Coefficient, logD

4.804

Water Solubility, LogSw

-4.38

Polar Surface Area

59.438

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

10.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

4886-7689 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4886-7689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4886-7689?
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What is the minimum amount of 4886-7689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4886-7689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4886-7689
  • 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 4886-7689 available by request