G864-0110 Screening compound: 2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide

G864-0110 Screening compound: 2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide
G864-0110 Screening compound: 2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G864-0110
2-{[3-(2-methoxyethyl)-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

G864-0110

Molecular Formula

C21H20N4O3S (C21 H20 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COCCN(C1=O)C(SCC(Nc2ccccc2)=O)=Nc2c1[nH]c1c2cccc1

InChI

InChI=1S/C21H20N4O3S/c1-28-12-11-25-20(27)19-18(15-9-5-6-10-16(15)23-19)24-21(25)29-13-17(26)22-14-7-3-2-4-8-14/h2-10,23H,11-13H2,1H3,(H,22,26)

InChI Key

OPMHLGOVJLDADK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05952263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.616

Distribution Coefficient, logD

2.616

Water Solubility, LogSw

-3.10

Polar Surface Area

65.471

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G864-0110 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 G864-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G864-0110?
Check Price and Availability of G864-0110, 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 G864-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G864-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G864-0110
  • 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 G864-0110 available by request