G864-0172 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one

G864-0172 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
G864-0172 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G864-0172
2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-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

G864-0172

Molecular Formula

C20H18ClN3O2S (C20 H18 ClN3 O2 S)

Compound Name

2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

COCCN(C1=O)C(SCc2cccc(Cl)c2)=Nc2c1[nH]c1c2cccc1

InChI

InChI=1S/C20H18ClN3O2S/c1-26-10-9-24-19(25)18-17(15-7-2-3-8-16(15)22-18)23-20(24)27-12-13-5-4-6-14(21)11-13/h2-8,11,22H,9-10,12H2,1H3

InChI Key

GSPKZJOCIHLGJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05952378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.065

Distribution Coefficient, logD

4.065

Water Solubility, LogSw

-4.30

Polar Surface Area

42.322

Acid Dissociation Constant (pKa)

15.40

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G864-0172 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

DGK Inhibitors Library (10558 compounds)

Anti-HIV1 Library (19540 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
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with G864-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G864-0172?
Check Price and Availability of G864-0172, 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 G864-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G864-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G864-0172
  • 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 G864-0172 available by request