G856-0818 Screening compound: ethyl 4-[2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetyl]piperazine-1-carboxylate

G856-0818 Screening compound: ethyl 4-[2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetyl]piperazine-1-carboxylate
G856-0818 Screening compound: ethyl 4-[2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-0818
ethyl 4-[2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetyl]piperazine-1-carboxylate

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

G856-0818

Molecular Formula

C25H25N5O4S (C25 H25 N5 O4 S)

Compound Name

ethyl 4-[2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[2-({4-oxo-3-phenyl-3H4H5H-pyrimido[54-b]indol-2-yl}sulfanyl)acetyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CSC(N(c1ccccc1)C1=O)=Nc2c1[nH]c1c2cccc1)=O)=O

InChI

InChI=1S/C25H25N5O4S/c1-2-34-25(33)29-14-12-28(13-15-29)20(31)16-35-24-27-21-18-10-6-7-11-19(18)26-22(21)23(32)30(24)17-8-4-3-5-9-17/h3-11,26H,2,12-16H2,1H3

InChI Key

XAAFMKZAZSZOAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.727

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-3.02

Polar Surface Area

72.290

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

G856-0818 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G856-0818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-0818?
Check Price and Availability of G856-0818, 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 G856-0818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-0818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-0818
  • 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 G856-0818 available by request