C321-0009 Screening compound: 2-(acetylsulfanyl)-N-[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide

C321-0009 Screening compound: 2-(acetylsulfanyl)-N-[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide
C321-0009 Screening compound: 2-(acetylsulfanyl)-N-[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C321-0009
2-(acetylsulfanyl)-N-[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide

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

C321-0009

Molecular Formula

C13H14N2O3S2 (C13 H14 N2 O3 S2)

Compound Name

2-(acetylsulfanyl)-N-[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide

IUPAC name

2-(acetylsulfanyl)-N-[(2Z)-6-methoxy-3-methyl-23-dihydro-13-benzothiazol-2-ylidene]acetamide

SMILES

CC(SCC(/N=C1\Sc(cc(cc2)OC)c2N1C)=O)=O

InChI

InChI=1S/C13H14N2O3S2/c1-8(16)19-7-12(17)14-13-15(2)10-5-4-9(18-3)6-11(10)20-13/h4-6H,7H2,1-3H3

InChI Key

SKPRTUADRWYLEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04463523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.979

Distribution Coefficient, logD

1.979

Water Solubility, LogSw

-2.57

Polar Surface Area

46.258

Acid Dissociation Constant (pKa)

18.22

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with C321-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C321-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C321-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C321-0009
  • 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 C321-0009 available by request