F813-4341 Screening compound: ethyl 2-(2-{[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate

F813-4341 Screening compound: ethyl 2-(2-{[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
F813-4341 Screening compound: ethyl 2-(2-{[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F813-4341
ethyl 2-(2-{[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)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

F813-4341

Molecular Formula

C22H25N5O3S2 (C22 H25 N5 O3 S2)

Compound Name

ethyl 2-(2-{[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{[2-(3-methylpiperidin-1-yl)-[13]thiazolo[45-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CSc1c2sc(N3CC(C)CCC3)nc2ncn1)=O)=O

InChI

InChI=1S/C22H25N5O3S2/c1-3-30-21(29)15-8-4-5-9-16(15)25-17(28)12-31-20-18-19(23-13-24-20)26-22(32-18)27-10-6-7-14(2)11-27/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3,(H,25,28)/t14-/m0/s1

InChI Key

DCXOEMRIXRGYAD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27193611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.619

Distribution Coefficient, logD

4.604

Water Solubility, LogSw

-4.30

Polar Surface Area

77.361

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

F813-4341 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F813-4341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F813-4341?
Check Price and Availability of F813-4341, 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 F813-4341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F813-4341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F813-4341
  • 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 F813-4341 available by request