V020-5661 Screening compound: 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)-N-(3,3,5-trimethylcyclohexyl)acetamide

V020-5661 Screening compound: 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)-N-(3,3,5-trimethylcyclohexyl)acetamide
V020-5661 Screening compound: 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)-N-(3,3,5-trimethylcyclohexyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-5661
2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)-N-(3,3,5-trimethylcyclohexyl)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

V020-5661

Molecular Formula

C19H24N2O2S (C19 H24 N2 O2 S)

Compound Name

2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)-N-(3,3,5-trimethylcyclohexyl)acetamide

IUPAC name

2-(3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene)-N-(335-trimethylcyclohexyl)acetamide

SMILES

CC(C1)CC(C)(C)CC1NC(C=C1Sc(cccc2)c2NC1=O)=O

InChI

InChI=1S/C19H24N2O2S/c1-12-8-13(11-19(2,3)10-12)20-17(22)9-16-18(23)21-14-6-4-5-7-15(14)24-16/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,20,22)(H,21,23)

InChI Key

QCYBBWHDNCUAMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.771

Distribution Coefficient, logD

3.771

Water Solubility, LogSw

-3.97

Polar Surface Area

49.041

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.37

V020-5661 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 V020-5661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-5661?
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What is the minimum amount of V020-5661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-5661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-5661
  • 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 V020-5661 available by request