F813-2354 Screening compound: methyl 4-(2-{[2-(pyrrolidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate

F813-2354 Screening compound: methyl 4-(2-{[2-(pyrrolidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
F813-2354 Screening compound: methyl 4-(2-{[2-(pyrrolidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F813-2354
methyl 4-(2-{[2-(pyrrolidin-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

F813-2354

Molecular Formula

C19H19N5O3S2 (C19 H19 N5 O3 S2)

Compound Name

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

IUPAC name

methyl 4-(2-{[2-(pyrrolidin-1-yl)-[13]thiazolo[45-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate

SMILES

COC(c(cc1)ccc1NC(CSc1c2sc(N3CCCC3)nc2ncn1)=O)=O

InChI

InChI=1S/C19H19N5O3S2/c1-27-18(26)12-4-6-13(7-5-12)22-14(25)10-28-17-15-16(20-11-21-17)23-19(29-15)24-8-2-3-9-24/h4-7,11H,2-3,8-10H2,1H3,(H,22,25)

InChI Key

RPOHZGAHWJDKPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27193391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-3.96

Polar Surface Area

78.911

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

F813-2354 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 F813-2354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F813-2354?
Check Price and Availability of F813-2354, 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 F813-2354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F813-2354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F813-2354
  • 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 F813-2354 available by request