F813-4413 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-one

F813-4413 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-one
F813-4413 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F813-4413
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-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

F813-4413

Molecular Formula

C23H27FN6OS2 (C23 H27 FN6 OS2)

Compound Name

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-one

IUPAC name

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[2-(3-methylpiperidin-1-yl)-[13]thiazolo[45-d]pyrimidin-7-yl]sulfanyl}ethan-1-one

SMILES

CC(CCC1)CN1c1nc2ncnc(SCC(N(CC3)CCN3c(cccc3)c3F)=O)c2s1

InChI

InChI=1S/C23H27FN6OS2/c1-16-5-4-8-30(13-16)23-27-21-20(33-23)22(26-15-25-21)32-14-19(31)29-11-9-28(10-12-29)18-7-3-2-6-17(18)24/h2-3,6-7,15-16H,4-5,8-14H2,1H3/t16-/m0/s1

InChI Key

AACVAMKOCWWKAU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD16638414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

4.427

Water Solubility, LogSw

-4.25

Polar Surface Area

53.508

Acid Dissociation Constant (pKa)

19.25

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

F813-4413 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F813-4413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F813-4413?
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What is the minimum amount of F813-4413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F813-4413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F813-4413
  • 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 F813-4413 available by request