G856-1287 Screening compound: 2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-phenylacetamide

G856-1287 Screening compound: 2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-phenylacetamide
G856-1287 Screening compound: 2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-1287
2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-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

G856-1287

Molecular Formula

C25H17F3N4O2S (C25 H17 F3 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(N(c1cc(C(F)(F)F)ccc1)C1=O)=Nc2c1[nH]c1c2cccc1)Nc1ccccc1

InChI

InChI=1S/C25H17F3N4O2S/c26-25(27,28)15-7-6-10-17(13-15)32-23(34)22-21(18-11-4-5-12-19(18)30-22)31-24(32)35-14-20(33)29-16-8-2-1-3-9-16/h1-13,30H,14H2,(H,29,33)

InChI Key

KSXDPEKAAVXYMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04992486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.713

Distribution Coefficient, logD

4.713

Water Solubility, LogSw

-4.94

Polar Surface Area

56.267

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

G856-1287 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 G856-1287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-1287?
Check Price and Availability of G856-1287, 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 G856-1287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-1287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-1287
  • 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 G856-1287 available by request