G856-0991 Screening compound: 2-{[3-(3-methoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide

G856-0991 Screening compound: 2-{[3-(3-methoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide
G856-0991 Screening compound: 2-{[3-(3-methoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-0991
2-{[3-(3-methoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide

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

G856-0991

Molecular Formula

C25H20N4O3S (C25 H20 N4 O3 S)

Compound Name

2-{[3-(3-methoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide

IUPAC name

2-{[3-(3-methoxyphenyl)-4-oxo-3H4H5H-pyrimido[54-b]indol-2-yl]sulfanyl}-N-phenylacetamide

SMILES

COc1cccc(N(C2=O)C(SCC(Nc3ccccc3)=O)=Nc3c2[nH]c2c3cccc2)c1

InChI

InChI=1S/C25H20N4O3S/c1-32-18-11-7-10-17(14-18)29-24(31)23-22(19-12-5-6-13-20(19)27-23)28-25(29)33-15-21(30)26-16-8-3-2-4-9-16/h2-14,27H,15H2,1H3,(H,26,30)

InChI Key

CVDAVSSPODEFKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04992156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.020

Distribution Coefficient, logD

4.020

Water Solubility, LogSw

-4.31

Polar Surface Area

63.811

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

G856-0991 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G856-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-0991?
Check Price and Availability of G856-0991, 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 G856-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-0991
  • 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 G856-0991 available by request