F692-0028 Screening compound: N~2~-cyclooctyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxamide

F692-0028 Screening compound: N~2~-cyclooctyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxamide
F692-0028 Screening compound: N~2~-cyclooctyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F692-0028
N~2~-cyclooctyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxamide

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

F692-0028

Molecular Formula

C19H21N3O2S (C19 H21 N3 O2 S)

Compound Name

N~2~-cyclooctyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxamide

IUPAC name

N-cyclooctyl-13-oxo-10-thia-18-diazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-11-carboxamide

SMILES

O=C(C(Sc1nc(cccc2)c2n11)=CC1=O)NC1CCCCCCC1

InChI

InChI=1S/C19H21N3O2S/c23-17-12-16(18(24)20-13-8-4-2-1-3-5-9-13)25-19-21-14-10-6-7-11-15(14)22(17)19/h6-7,10-13H,1-5,8-9H2,(H,20,24)

InChI Key

MARYZZGKEVIZSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14963652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.970

Distribution Coefficient, logD

3.970

Water Solubility, LogSw

-4.22

Polar Surface Area

49.106

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

F692-0028 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F692-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F692-0028?
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What is the minimum amount of F692-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F692-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F692-0028
  • 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 F692-0028 available by request