4934-0136 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-ethanone

4934-0136 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-ethanone
4934-0136 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4934-0136
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-ethanone

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

4934-0136

Molecular Formula

C24H19N3O2S (C24 H19 N3 O2 S)

Compound Name

1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-ethanone

IUPAC name

1-{2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-2-yl}-2-[(5-phenyl-134-oxadiazol-2-yl)sulfanyl]ethan-1-one

SMILES

O=C(CSc1nnc(-c2ccccc2)o1)N(c1c(CC2)cccc1)c1c2cccc1

InChI

InChI=1S/C24H19N3O2S/c28-22(16-30-24-26-25-23(29-24)19-10-2-1-3-11-19)27-20-12-6-4-8-17(20)14-15-18-9-5-7-13-21(18)27/h1-13H,14-16H2

InChI Key

UGZRPIZOMOTKCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02750842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.077

Distribution Coefficient, logD

5.077

Water Solubility, LogSw

-5.01

Polar Surface Area

43.771

Acid Dissociation Constant (pKa)

17.35

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4934-0136 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

DGK Inhibitors Library (10558 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4934-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4934-0136?
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What is the minimum amount of 4934-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4934-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4934-0136
  • 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 4934-0136 available by request