C493-0010 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide

C493-0010 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide
C493-0010 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C493-0010
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}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

C493-0010

Molecular Formula

C28H29FN2O4S (C28 H29 FN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C1Sc(cccc2)c2N(Cc(cccc2)c2F)C1=O)C(NCCc(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C28H29FN2O4S/c1-18(27(32)30-15-14-19-12-13-23(34-2)24(16-19)35-3)26-28(33)31(17-20-8-4-5-9-21(20)29)22-10-6-7-11-25(22)36-26/h4-13,16,18,26H,14-15,17H2,1-3H3,(H,30,32)

InChI Key

NNGIJVKGELYOPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

4.088

Water Solubility, LogSw

-4.20

Polar Surface Area

54.857

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

C493-0010 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C493-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C493-0010?
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What is the minimum amount of C493-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C493-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C493-0010
  • 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 C493-0010 available by request