L880-0338 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-8-methoxy-3,5-dimethyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one

L880-0338 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-8-methoxy-3,5-dimethyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one
L880-0338 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-8-methoxy-3,5-dimethyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L880-0338
2-{[(2-fluorophenyl)methyl]sulfanyl}-8-methoxy-3,5-dimethyl-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

L880-0338

Molecular Formula

C20H18FN3O2S (C20 H18 FN3 O2 S)

Compound Name

2-{[(2-fluorophenyl)methyl]sulfanyl}-8-methoxy-3,5-dimethyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

2-{[(2-fluorophenyl)methyl]sulfanyl}-8-methoxy-35-dimethyl-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

Cn(c(cc1)c2cc1OC)c(C(N1C)=O)c2N=C1SCc(cccc1)c1F

InChI

InChI=1S/C20H18FN3O2S/c1-23-16-9-8-13(26-3)10-14(16)17-18(23)19(25)24(2)20(22-17)27-11-12-6-4-5-7-15(12)21/h4-10H,11H2,1-3H3

InChI Key

LABDHPXPRIOVGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

3.892

Water Solubility, LogSw

-4.05

Polar Surface Area

33.023

Acid Dissociation Constant (pKa)

29.61

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L880-0338 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L880-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L880-0338?
Check Price and Availability of L880-0338, 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 L880-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L880-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L880-0338
  • 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 L880-0338 available by request