V006-3352 Screening compound: 2-[(2E)-4-[(2-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]-N-(cyclopropylmethyl)acetamide

V006-3352 Screening compound: 2-[(2E)-4-[(2-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]-N-(cyclopropylmethyl)acetamide
V006-3352 Screening compound: 2-[(2E)-4-[(2-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]-N-(cyclopropylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-3352
2-[(2E)-4-[(2-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]-N-(cyclopropylmethyl)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

V006-3352

Molecular Formula

C21H19ClN2O2S (C21 H19 ClN2 O2 S)

Compound Name

2-[(2E)-4-[(2-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]-N-(cyclopropylmethyl)acetamide

IUPAC name

2-[(2E)-4-[(2-chlorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]-N-(cyclopropylmethyl)acetamide

SMILES

O=C(/C=C1/Sc(cccc2)c2N(Cc(cccc2)c2Cl)C1=O)NCC1CC1

InChI

InChI=1S/C21H19ClN2O2S/c22-16-6-2-1-5-15(16)13-24-17-7-3-4-8-18(17)27-19(21(24)26)11-20(25)23-12-14-9-10-14/h1-8,11,14H,9-10,12-13H2,(H,23,25)

InChI Key

BBASNJOPSIFNCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27499758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.599

Distribution Coefficient, logD

4.599

Water Solubility, LogSw

-4.56

Polar Surface Area

40.064

Acid Dissociation Constant (pKa)

15.63

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with V006-3352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-3352?
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What is the minimum amount of V006-3352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-3352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-3352
  • 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 V006-3352 available by request