8016-6804 Screening compound: 6-(2-chlorobenzyl)-9-fluoro-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one

8016-6804 Screening compound: 6-(2-chlorobenzyl)-9-fluoro-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
8016-6804 Screening compound: 6-(2-chlorobenzyl)-9-fluoro-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 8016-6804
6-(2-chlorobenzyl)-9-fluoro-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

8016-6804

Molecular Formula

C19H13ClFN3OS (C19 H13 ClFN3 OS)

Compound Name

6-(2-chlorobenzyl)-9-fluoro-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one

IUPAC name

8-[(2-chlorophenyl)methyl]-4-fluoro-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)c1Cl)c(cc1)c2cc1F

InChI

InChI=1S/C19H13ClFN3OS/c20-14-4-2-1-3-11(14)10-24-15-6-5-12(21)9-13(15)16-17(24)18(25)23-7-8-26-19(23)22-16/h1-6,9H,7-8,10H2

InChI Key

VMAAULCCCZWUIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.85

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

4.272

Distribution Coefficient, logD

4.272

Water Solubility, LogSw

-4.36

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

8016-6804 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8016-6804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6804?
Check Price and Availability of 8016-6804, 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 8016-6804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6804
  • 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 8016-6804 available by request