G864-0072 Screening compound: 3-ethyl-2-{[(2-fluorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one

G864-0072 Screening compound: 3-ethyl-2-{[(2-fluorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
G864-0072 Screening compound: 3-ethyl-2-{[(2-fluorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G864-0072
3-ethyl-2-{[(2-fluorophenyl)methyl]sulfanyl}-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

G864-0072

Molecular Formula

C19H16FN3OS (C19 H16 FN3 OS)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H16FN3OS/c1-2-23-18(24)17-16(13-8-4-6-10-15(13)21-17)22-19(23)25-11-12-7-3-5-9-14(12)20/h3-10,21H,2,11H2,1H3

InChI Key

OKMBOBIIISWKEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05952188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.175

Distribution Coefficient, logD

4.175

Water Solubility, LogSw

-4.15

Polar Surface Area

33.726

Acid Dissociation Constant (pKa)

15.40

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

G864-0072 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 G864-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G864-0072?
Check Price and Availability of G864-0072, 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 G864-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G864-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G864-0072
  • 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 G864-0072 available by request