C493-0029 Screening compound: 2-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-(3-methoxypropyl)propanamide

C493-0029 Screening compound: 2-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-(3-methoxypropyl)propanamide
C493-0029 Screening compound: 2-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-(3-methoxypropyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C493-0029
2-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-(3-methoxypropyl)propanamide

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

C493-0029

Molecular Formula

C22H25FN2O3S (C22 H25 FN2 O3 S)

Compound Name

2-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-(3-methoxypropyl)propanamide

IUPAC name

2-{4-[(2-fluorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-yl}-N-(3-methoxypropyl)propanamide

SMILES

CC(C1Sc(cccc2)c2N(Cc(cccc2)c2F)C1=O)C(NCCCOC)=O

InChI

InChI=1S/C22H25FN2O3S/c1-15(21(26)24-12-7-13-28-2)20-22(27)25(14-16-8-3-4-9-17(16)23)18-10-5-6-11-19(18)29-20/h3-6,8-11,15,20H,7,12-14H2,1-2H3,(H,24,26)

InChI Key

BUKUZQXDDLZKNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

3.330

Water Solubility, LogSw

-3.64

Polar Surface Area

48.210

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

C493-0029 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C493-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C493-0029?
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What is the minimum amount of C493-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C493-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C493-0029
  • 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 C493-0029 available by request