C795-0681 Screening compound: N-[(3-methoxyphenyl)methyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide

C795-0681 Screening compound: N-[(3-methoxyphenyl)methyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide
C795-0681 Screening compound: N-[(3-methoxyphenyl)methyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0681
N-[(3-methoxyphenyl)methyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-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

C795-0681

Molecular Formula

C18H18N2O3S (C18 H18 N2 O3 S)

Compound Name

N-[(3-methoxyphenyl)methyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide

IUPAC name

N-[(3-methoxyphenyl)methyl]-2-(3-oxo-23-dihydro-12-benzothiazol-2-yl)propanamide

SMILES

CC(C(NCc1cc(OC)ccc1)=O)N1Sc(cccc2)c2C1=O

InChI

InChI=1S/C18H18N2O3S/c1-12(20-18(22)15-8-3-4-9-16(15)24-20)17(21)19-11-13-6-5-7-14(10-13)23-2/h3-10,12H,11H2,1-2H3,(H,19,21)/t12-/m0/s1

InChI Key

DGVMZONERFJPPJ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14797022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.476

Distribution Coefficient, logD

2.476

Water Solubility, LogSw

-2.95

Polar Surface Area

48.757

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

C795-0681 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with C795-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0681?
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What is the minimum amount of C795-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0681
  • 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 C795-0681 available by request