G540-0169 Screening compound: ethyl 3-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino}benzoate

G540-0169 Screening compound: ethyl 3-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino}benzoate
G540-0169 Screening compound: ethyl 3-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G540-0169
ethyl 3-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]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

G540-0169

Molecular Formula

C21H16FN3O2S (C21 H16 FN3 O2 S)

Compound Name

ethyl 3-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino}benzoate

IUPAC name

ethyl 3-{[5-(4-fluorophenyl)thieno[23-d]pyrimidin-4-yl]amino}benzoate

SMILES

CCOC(c1cccc(Nc2c(c(-c(cc3)ccc3F)cs3)c3ncn2)c1)=O

InChI

InChI=1S/C21H16FN3O2S/c1-2-27-21(26)14-4-3-5-16(10-14)25-19-18-17(11-28-20(18)24-12-23-19)13-6-8-15(22)9-7-13/h3-12H,2H2,1H3,(H,23,24,25)

InChI Key

JQQANQUZIWRIDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15017499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.011

Distribution Coefficient, logD

6.010

Water Solubility, LogSw

-5.82

Polar Surface Area

51.187

Acid Dissociation Constant (pKa)

18.25

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

G540-0169 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Immune system
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G540-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G540-0169?
Check Price and Availability of G540-0169, 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 G540-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G540-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G540-0169
  • 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 G540-0169 available by request