C795-1026 Screening compound: N-[(2-chlorophenyl)methyl]-4-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-4-oxobutanamide

C795-1026 Screening compound: N-[(2-chlorophenyl)methyl]-4-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-4-oxobutanamide
C795-1026 Screening compound: N-[(2-chlorophenyl)methyl]-4-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-1026
N-[(2-chlorophenyl)methyl]-4-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-4-oxobutanamide

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

C795-1026

Molecular Formula

C19H19ClN2O2S (C19 H19 ClN2 O2 S)

Compound Name

N-[(2-chlorophenyl)methyl]-4-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-4-oxobutanamide

IUPAC name

N-[(2-chlorophenyl)methyl]-4-(34-dihydro-2H-14-benzothiazin-4-yl)-4-oxobutanamide

SMILES

O=C(CCC(N1c(cccc2)c2SCC1)=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C19H19ClN2O2S/c20-15-6-2-1-5-14(15)13-21-18(23)9-10-19(24)22-11-12-25-17-8-4-3-7-16(17)22/h1-8H,9-13H2,(H,21,23)

InChI Key

YEADUPJEQIDPHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.247

Distribution Coefficient, logD

3.247

Water Solubility, LogSw

-3.44

Polar Surface Area

39.495

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C795-1026 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C795-1026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-1026?
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What is the minimum amount of C795-1026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-1026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-1026
  • 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 C795-1026 available by request