V006-6140 Screening compound: 4-{3-[(4-benzhydrylpiperazino)carbonyl]benzyl}-2H-1,4-benzothiazin-3(4H)-one

V006-6140 Screening compound: 4-{3-[(4-benzhydrylpiperazino)carbonyl]benzyl}-2H-1,4-benzothiazin-3(4H)-one
V006-6140 Screening compound: 4-{3-[(4-benzhydrylpiperazino)carbonyl]benzyl}-2H-1,4-benzothiazin-3(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-6140
4-{3-[(4-benzhydrylpiperazino)carbonyl]benzyl}-2H-1,4-benzothiazin-3(4H)-one

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

V006-6140

Molecular Formula

C33H31N3O2S (C33 H31 N3 O2 S)

Compound Name

4-{3-[(4-benzhydrylpiperazino)carbonyl]benzyl}-2H-1,4-benzothiazin-3(4H)-one

IUPAC name

4-({3-[4-(diphenylmethyl)piperazine-1-carbonyl]phenyl}methyl)-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C(c1cccc(CN2c(cccc3)c3SCC2=O)c1)N(CC1)CCN1C(c1ccccc1)c1ccccc1

InChI

InChI=1S/C33H31N3O2S/c37-31-24-39-30-17-8-7-16-29(30)36(31)23-25-10-9-15-28(22-25)33(38)35-20-18-34(19-21-35)32(26-11-3-1-4-12-26)27-13-5-2-6-14-27/h1-17,22,32H,18-21,23-24H2

InChI Key

VYHRLJMXRLQSPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19768417

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

533.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.478

Distribution Coefficient, logD

5.476

Water Solubility, LogSw

-5.79

Polar Surface Area

34.829

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.21

V006-6140 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V006-6140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-6140?
Check Price and Availability of V006-6140, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V006-6140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-6140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-6140
  • 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 V006-6140 available by request