8016-5360 Screening compound: ethyl 2-({2-[9-fluoro-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl]acetyl}amino)benzoate

8016-5360 Screening compound: ethyl 2-({2-[9-fluoro-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl]acetyl}amino)benzoate
8016-5360 Screening compound: ethyl 2-({2-[9-fluoro-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5360
ethyl 2-({2-[9-fluoro-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl]acetyl}amino)benzoate

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

8016-5360

Molecular Formula

C23H19FN4O4S (C23 H19 FN4 O4 S)

Compound Name

ethyl 2-({2-[9-fluoro-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl]acetyl}amino)benzoate

IUPAC name

ethyl 2-(2-{4-fluoro-10-oxo-14-thia-81116-triazatetracyclo[7.7.0.0^{27}.0^{1115}]hexadeca-1(9)24615-pentaen-8-yl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(Cn(c(cc1)c2cc1F)c1c2N=C2SCCN2C1=O)=O)=O

InChI

InChI=1S/C23H19FN4O4S/c1-2-32-22(31)14-5-3-4-6-16(14)25-18(29)12-28-17-8-7-13(24)11-15(17)19-20(28)21(30)27-9-10-33-23(27)26-19/h3-8,11H,2,9-10,12H2,1H3,(H,25,29)

InChI Key

ZWAKTJLMQANPCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.506

Distribution Coefficient, logD

3.470

Water Solubility, LogSw

-3.75

Polar Surface Area

68.152

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

8016-5360 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 8016-5360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5360?
Check Price and Availability of 8016-5360, 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 8016-5360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5360
  • 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 8016-5360 available by request