G864-0090 Screening compound: 2-{[3-(2-METHOXYETHYL)-4-OXO-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-2-YL]SULFANYL}-N-PROPYLACETAMIDE

G864-0090 Screening compound: 2-{[3-(2-METHOXYETHYL)-4-OXO-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-2-YL]SULFANYL}-N-PROPYLACETAMIDE
G864-0090 Screening compound: 2-{[3-(2-METHOXYETHYL)-4-OXO-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-2-YL]SULFANYL}-N-PROPYLACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound G864-0090
2-{[3-(2-METHOXYETHYL)-4-OXO-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-2-YL]SULFANYL}-N-PROPYLACETAMIDE

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

G864-0090

Molecular Formula

C18H22N4O3S (C18 H22 N4 O3 S)

Compound Name

2-{[3-(2-METHOXYETHYL)-4-OXO-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-2-YL]SULFANYL}-N-PROPYLACETAMIDE

IUPAC name

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

SMILES

CCCNC(CSC(N(CCOC)C1=O)=Nc2c1[nH]c1c2cccc1)=O

InChI

InChI=1S/C18H22N4O3S/c1-3-8-19-14(23)11-26-18-21-15-12-6-4-5-7-13(12)20-16(15)17(24)22(18)9-10-25-2/h4-7,20H,3,8-11H2,1-2H3,(H,19,23)

InChI Key

BVINIBHVQLKCDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05952231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

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

1.556

Distribution Coefficient, logD

1.556

Water Solubility, LogSw

-2.34

Polar Surface Area

66.906

Acid Dissociation Constant (pKa)

15.40

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

G864-0090 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

DGK Inhibitors Library (10558 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

References: we are preparing a list of scientific research reports with G864-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G864-0090?
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What is the minimum amount of G864-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G864-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G864-0090
  • 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 G864-0090 available by request