3176-5187 Screening compound: 11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3176-5187 Screening compound: 11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3176-5187 Screening compound: 11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-chlorophenyl)-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 3176-5187
11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-chlorophenyl)-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

3176-5187

Molecular Formula

C27H24BrClN2O3 (C27 H24 BrClN2 O3)

Compound Name

11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-chlorophenyl)-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)-14-(4-chlorophenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CCOc1cc(C2Nc(cccc3)c3NC(CC(C3)c(cc4)ccc4Cl)=C2C3=O)cc(Br)c1O

InChI

InChI=1S/C27H24BrClN2O3/c1-2-34-24-14-17(11-19(28)27(24)33)26-25-22(30-20-5-3-4-6-21(20)31-26)12-16(13-23(25)32)15-7-9-18(29)10-8-15/h3-11,14,16,26,30-31,33H,2,12-13H2,1H3

InChI Key

USFZCJNMTIVBHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.617

Distribution Coefficient, logD

6.595

Water Solubility, LogSw

-6.10

Polar Surface Area

59.166

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

3176-5187 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3176-5187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3176-5187?
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What is the minimum amount of 3176-5187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3176-5187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3176-5187
  • 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 3176-5187 available by request