C493-1107 Screening compound: N-butyl-2-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide

C493-1107 Screening compound: N-butyl-2-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide
C493-1107 Screening compound: N-butyl-2-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C493-1107
N-butyl-2-{4-[(2,5-dimethylphenyl)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

C493-1107

Molecular Formula

C24H30N2O2S (C24 H30 N2 O2 S)

Compound Name

N-butyl-2-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide

IUPAC name

N-butyl-2-{4-[(25-dimethylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-yl}propanamide

SMILES

CCCCNC(C(C)C1Sc(cccc2)c2N(Cc2c(C)ccc(C)c2)C1=O)=O

InChI

InChI=1S/C24H30N2O2S/c1-5-6-13-25-23(27)18(4)22-24(28)26(20-9-7-8-10-21(20)29-22)15-19-14-16(2)11-12-17(19)3/h7-12,14,18,22H,5-6,13,15H2,1-4H3,(H,25,27)

InChI Key

MDEMBYFYCHRUMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.355

Distribution Coefficient, logD

5.355

Water Solubility, LogSw

-5.13

Polar Surface Area

39.867

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

C493-1107 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C493-1107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C493-1107?
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What is the minimum amount of C493-1107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C493-1107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C493-1107
  • 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 C493-1107 available by request