3807-5250 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-ethanone

3807-5250 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-ethanone
3807-5250 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-5250
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-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

3807-5250

Molecular Formula

C19H18N4OS (C19 H18 N4 OS)

Compound Name

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

IUPAC name

1-{2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-2-yl}-2-[(4-methyl-4H-124-triazol-3-yl)sulfanyl]ethan-1-one

SMILES

Cn1c(SCC(N(c2c(CC3)cccc2)c2c3cccc2)=O)nnc1

InChI

InChI=1S/C19H18N4OS/c1-22-13-20-21-19(22)25-12-18(24)23-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)23/h2-9,13H,10-12H2,1H3

InChI Key

RSAAXDDNBZYQAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.298

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.57

Polar Surface Area

39.439

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3807-5250 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3807-5250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-5250?
Check Price and Availability of 3807-5250, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3807-5250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-5250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-5250
  • 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 3807-5250 available by request