G506-0029 Screening compound: 2-{4-[(4-benzhydrylpiperazino)carbonyl]phenyl}-1lambda~6~,2-thiazinane-1,1-dione

G506-0029 Screening compound: 2-{4-[(4-benzhydrylpiperazino)carbonyl]phenyl}-1lambda~6~,2-thiazinane-1,1-dione
G506-0029 Screening compound: 2-{4-[(4-benzhydrylpiperazino)carbonyl]phenyl}-1lambda~6~,2-thiazinane-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G506-0029
2-{4-[(4-benzhydrylpiperazino)carbonyl]phenyl}-1lambda~6~,2-thiazinane-1,1-dione

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

G506-0029

Molecular Formula

C28H31N3O3S (C28 H31 N3 O3 S)

Compound Name

2-{4-[(4-benzhydrylpiperazino)carbonyl]phenyl}-1lambda~6~,2-thiazinane-1,1-dione

IUPAC name

2-{4-[4-(diphenylmethyl)piperazine-1-carbonyl]phenyl}-1lambda62-thiazinane-11-dione

SMILES

O=C(c(cc1)ccc1N(CCCC1)S1(=O)=O)N(CC1)CCN1C(c1ccccc1)c1ccccc1

InChI

InChI=1S/C28H31N3O3S/c32-28(25-13-15-26(16-14-25)31-17-7-8-22-35(31,33)34)30-20-18-29(19-21-30)27(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,9-16,27H,7-8,17-22H2

InChI Key

ASQCSTZYSORLPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08007162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.609

Distribution Coefficient, logD

3.607

Water Solubility, LogSw

-3.68

Polar Surface Area

51.118

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

G506-0029 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G506-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G506-0029?
Check Price and Availability of G506-0029, 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 G506-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G506-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G506-0029
  • 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 G506-0029 available by request