6753-0863 Screening compound: 1-[3-(ethylsulfanyl)-6-(3-fluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

6753-0863 Screening compound: 1-[3-(ethylsulfanyl)-6-(3-fluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone
6753-0863 Screening compound: 1-[3-(ethylsulfanyl)-6-(3-fluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6753-0863
1-[3-(ethylsulfanyl)-6-(3-fluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-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

6753-0863

Molecular Formula

C20H17FN4O2S (C20 H17 FN4 O2 S)

Compound Name

1-[3-(ethylsulfanyl)-6-(3-fluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

IUPAC name

1-[5-(ethylsulfanyl)-9-(3-fluorophenyl)-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(11)2(7)351214-hexaen-10-yl]ethan-1-one

SMILES

CCSc1nnc(-c(cccc2)c2N(C(c2cc(F)ccc2)O2)C(C)=O)c2n1

InChI

InChI=1S/C20H17FN4O2S/c1-3-28-20-22-18-17(23-24-20)15-9-4-5-10-16(15)25(12(2)26)19(27-18)13-7-6-8-14(21)11-13/h4-11,19H,3H2,1-2H3/t19-/m0/s1

InChI Key

DATAEEGHYPTEAK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD07188763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.642

Distribution Coefficient, logD

3.642

Water Solubility, LogSw

-3.92

Polar Surface Area

54.639

Acid Dissociation Constant (pKa)

19.96

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

6753-0863 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 6753-0863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6753-0863?
Check Price and Availability of 6753-0863, 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 6753-0863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6753-0863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6753-0863
  • 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 6753-0863 available by request