G864-0230 Screening compound: N-cyclohexyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

G864-0230 Screening compound: N-cyclohexyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
G864-0230 Screening compound: N-cyclohexyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G864-0230
N-cyclohexyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

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

G864-0230

Molecular Formula

C21H24N4O2S (C21 H24 N4 O2 S)

Compound Name

N-cyclohexyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

IUPAC name

N-cyclohexyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H4H5H-pyrimido[54-b]indol-2-yl]sulfanyl}acetamide

SMILES

C=CCN(C1=O)C(SCC(NC2CCCCC2)=O)=Nc2c1[nH]c1c2cccc1

InChI

InChI=1S/C21H24N4O2S/c1-2-12-25-20(27)19-18(15-10-6-7-11-16(15)23-19)24-21(25)28-13-17(26)22-14-8-4-3-5-9-14/h2,6-7,10-11,14,23H,1,3-5,8-9,12-13H2,(H,22,26)

InChI Key

YWLFQNCADKBQAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05952453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

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

3.368

Distribution Coefficient, logD

3.368

Water Solubility, LogSw

-3.69

Polar Surface Area

58.176

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G864-0230 in Drug Discovery

Included in Screening Libraries

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

References: we are preparing a list of scientific research reports with G864-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G864-0230?
Check Price and Availability of G864-0230, 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 G864-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G864-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G864-0230
  • 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 G864-0230 available by request