G864-0206 Screening compound: N-(2-fluorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

G864-0206 Screening compound: N-(2-fluorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
G864-0206 Screening compound: N-(2-fluorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G864-0206
N-(2-fluorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-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

G864-0206

Molecular Formula

C21H17FN4O2S (C21 H17 FN4 O2 S)

Compound Name

N-(2-fluorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide

IUPAC name

N-(2-fluorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3H4H5H-pyrimido[54-b]indol-2-yl]sulfanyl}acetamide

SMILES

C=CCN(C1=O)C(SCC(Nc(cccc2)c2F)=O)=Nc2c1[nH]c1c2cccc1

InChI

InChI=1S/C21H17FN4O2S/c1-2-11-26-20(28)19-18(13-7-3-5-9-15(13)24-19)25-21(26)29-12-17(27)23-16-10-6-4-8-14(16)22/h2-10,24H,1,11-12H2,(H,23,27)

InChI Key

ZTLRWFGQAKVDQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05952426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.253

Distribution Coefficient, logD

3.252

Water Solubility, LogSw

-3.46

Polar Surface Area

56.431

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

G864-0206 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 G864-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G864-0206?
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What is the minimum amount of G864-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G864-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G864-0206
  • 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 G864-0206 available by request