G864-0246 Screening compound: 3-(prop-2-en-1-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one

G864-0246 Screening compound: 3-(prop-2-en-1-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
G864-0246 Screening compound: 3-(prop-2-en-1-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G864-0246
3-(prop-2-en-1-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one

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

G864-0246

Molecular Formula

C21H16F3N3OS (C21 H16 F3 N3 OS)

Compound Name

3-(prop-2-en-1-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

3-(prop-2-en-1-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

C=CCN(C1=O)C(SCc2ccc(C(F)(F)F)cc2)=Nc2c1[nH]c1c2cccc1

InChI

InChI=1S/C21H16F3N3OS/c1-2-11-27-19(28)18-17(15-5-3-4-6-16(15)25-18)26-20(27)29-12-13-7-9-14(10-8-13)21(22,23)24/h2-10,25H,1,11-12H2

InChI Key

MQHNGIQOJYZOJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05952488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.670

Distribution Coefficient, logD

4.670

Water Solubility, LogSw

-4.69

Polar Surface Area

33.979

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G864-0246 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G864-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G864-0246?
Check Price and Availability of G864-0246, 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 G864-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G864-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G864-0246
  • 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 G864-0246 available by request