V016-5282 Screening compound: N-cyclopropyl-2-[(2E)-3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

V016-5282 Screening compound: N-cyclopropyl-2-[(2E)-3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide
V016-5282 Screening compound: N-cyclopropyl-2-[(2E)-3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-5282
N-cyclopropyl-2-[(2E)-3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazin-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

V016-5282

Molecular Formula

C16H16N2O2S (C16 H16 N2 O2 S)

Compound Name

N-cyclopropyl-2-[(2E)-3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

IUPAC name

N-cyclopropyl-2-[(2E)-3-oxo-4-(prop-2-en-1-yl)-34-dihydro-2H-14-benzothiazin-2-ylidene]acetamide

SMILES

C=CCN(c(cccc1)c1S/C1=C/C(NC2CC2)=O)C1=O

InChI

InChI=1S/C16H16N2O2S/c1-2-9-18-12-5-3-4-6-13(12)21-14(16(18)20)10-15(19)17-11-7-8-11/h2-6,10-11H,1,7-9H2,(H,17,19)

InChI Key

BSEZYGVHBHZAFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.631

Distribution Coefficient, logD

2.631

Water Solubility, LogSw

-3.01

Polar Surface Area

39.847

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V016-5282 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V016-5282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-5282?
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What is the minimum amount of V016-5282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-5282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-5282
  • 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 V016-5282 available by request