G864-0120 Screening compound: N-(4-ethylphenyl)-2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

G864-0120 Screening compound: N-(4-ethylphenyl)-2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
G864-0120 Screening compound: N-(4-ethylphenyl)-2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G864-0120
N-(4-ethylphenyl)-2-{[3-(2-methoxyethyl)-4-oxo-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

G864-0120

Molecular Formula

C23H24N4O3S (C23 H24 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(CSC(N(CCOC)C1=O)=Nc2c1[nH]c1c2cccc1)=O

InChI

InChI=1S/C23H24N4O3S/c1-3-15-8-10-16(11-9-15)24-19(28)14-31-23-26-20-17-6-4-5-7-18(17)25-21(20)22(29)27(23)12-13-30-2/h4-11,25H,3,12-14H2,1-2H3,(H,24,28)

InChI Key

RFIMMZXTBJMXKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05952273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.738

Distribution Coefficient, logD

3.738

Water Solubility, LogSw

-3.99

Polar Surface Area

65.471

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

G864-0120 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 G864-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G864-0120?
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What is the minimum amount of G864-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G864-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G864-0120
  • 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 G864-0120 available by request