6232-2302 Screening compound: N~1~-(5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-2-methoxy-4-(methylsulfanyl)benzamide

6232-2302 Screening compound: N~1~-(5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-2-methoxy-4-(methylsulfanyl)benzamide
6232-2302 Screening compound: N~1~-(5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-2-methoxy-4-(methylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6232-2302
N~1~-(5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-2-methoxy-4-(methylsulfanyl)benzamide

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

6232-2302

Molecular Formula

C25H24N2O3S (C25 H24 N2 O3 S)

Compound Name

N~1~-(5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-2-methoxy-4-(methylsulfanyl)benzamide

IUPAC name

N-{2-acetyl-2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-5-yl}-2-methoxy-4-(methylsulfanyl)benzamide

SMILES

CC(N(c1c(CC2)cccc1)c1c2ccc(NC(c(ccc(SC)c2)c2OC)=O)c1)=O

InChI

InChI=1S/C25H24N2O3S/c1-16(28)27-22-7-5-4-6-17(22)8-9-18-10-11-19(14-23(18)27)26-25(29)21-13-12-20(31-3)15-24(21)30-2/h4-7,10-15H,8-9H2,1-3H3,(H,26,29)

InChI Key

IMDFVUXYBNMSCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02018972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.287

Distribution Coefficient, logD

5.287

Water Solubility, LogSw

-5.30

Polar Surface Area

45.662

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6232-2302 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6232-2302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6232-2302?
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What is the minimum amount of 6232-2302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6232-2302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6232-2302
  • 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 6232-2302 available by request