F510-0062 Screening compound: N-(3-chloro-2-methylphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

F510-0062 Screening compound: N-(3-chloro-2-methylphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
F510-0062 Screening compound: N-(3-chloro-2-methylphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F510-0062
N-(3-chloro-2-methylphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

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

F510-0062

Molecular Formula

C22H22ClN3O3S (C22 H22 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(NC(CN1c(cc(cc2)C(N3CCCC3)=O)c2SCC1=O)=O)ccc1)c1Cl

InChI

InChI=1S/C22H22ClN3O3S/c1-14-16(23)5-4-6-17(14)24-20(27)12-26-18-11-15(22(29)25-9-2-3-10-25)7-8-19(18)30-13-21(26)28/h4-8,11H,2-3,9-10,12-13H2,1H3,(H,24,27)

InChI Key

DSUDFMAJMJALOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27134758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

3.226

Water Solubility, LogSw

-3.60

Polar Surface Area

55.085

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

F510-0062 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F510-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F510-0062?
Check Price and Availability of F510-0062, 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 F510-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F510-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F510-0062
  • 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 F510-0062 available by request