F510-0068 Screening compound: 2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-propylacetamide

F510-0068 Screening compound: 2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-propylacetamide
F510-0068 Screening compound: 2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F510-0068
2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-propylacetamide

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

F510-0068

Molecular Formula

C18H23N3O3S (C18 H23 N3 O3 S)

Compound Name

2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-propylacetamide

IUPAC name

2-[3-oxo-6-(pyrrolidine-1-carbonyl)-34-dihydro-2H-14-benzothiazin-4-yl]-N-propylacetamide

SMILES

CCCNC(CN1c(cc(cc2)C(N3CCCC3)=O)c2SCC1=O)=O

InChI

InChI=1S/C18H23N3O3S/c1-2-7-19-16(22)11-21-14-10-13(18(24)20-8-3-4-9-20)5-6-15(14)25-12-17(21)23/h5-6,10H,2-4,7-9,11-12H2,1H3,(H,19,22)

InChI Key

KOKZIMJFNXVMIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27134762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.064

Distribution Coefficient, logD

1.064

Water Solubility, LogSw

-2.39

Polar Surface Area

57.218

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F510-0068 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with F510-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F510-0068?
Check Price and Availability of F510-0068, 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 F510-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F510-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F510-0068
  • 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 F510-0068 available by request