8016-4386 Screening compound: 6-(2-fluorobenzyl)-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one

8016-4386 Screening compound: 6-(2-fluorobenzyl)-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
8016-4386 Screening compound: 6-(2-fluorobenzyl)-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4386
6-(2-fluorobenzyl)-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-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

8016-4386

Molecular Formula

C19H14FN3OS (C19 H14 FN3 OS)

Compound Name

6-(2-fluorobenzyl)-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one

IUPAC name

8-[(2-fluorophenyl)methyl]-14-thia-81116-triazatetracyclo[7.7.0.0^{27}.0^{1115}]hexadeca-1(9)24615-pentaen-10-one

SMILES

O=C1N(CCS2)C2=Nc2c1n(Cc(cccc1)c1F)c1c2cccc1

InChI

InChI=1S/C19H14FN3OS/c20-14-7-3-1-5-12(14)11-23-15-8-4-2-6-13(15)16-17(23)18(24)22-9-10-25-19(22)21-16/h1-8H,9-11H2

InChI Key

ROLGSTOCZAUXFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.748

Distribution Coefficient, logD

3.748

Water Solubility, LogSw

-4.08

Polar Surface Area

24.947

Acid Dissociation Constant (pKa)

25.73

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

8016-4386 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-4386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4386?
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What is the minimum amount of 8016-4386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4386
  • 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 8016-4386 available by request