F801-0453 Screening compound: 2-[7-oxo-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

F801-0453 Screening compound: 2-[7-oxo-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
F801-0453 Screening compound: 2-[7-oxo-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F801-0453
2-[7-oxo-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

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

F801-0453

Molecular Formula

C18H16F3N5O2S (C18 H16 F3 N5 O2 S)

Compound Name

2-[7-oxo-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[7-oxo-2-(pyrrolidin-1-yl)-6H7H-[13]thiazolo[45-d]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CN(C=Nc1c2sc(N3CCCC3)n1)C2=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C18H16F3N5O2S/c19-18(20,21)11-4-3-5-12(8-11)23-13(27)9-26-10-22-15-14(16(26)28)29-17(24-15)25-6-1-2-7-25/h3-5,8,10H,1-2,6-7,9H2,(H,23,27)

InChI Key

SFCWUYUVRSHPHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.778

Distribution Coefficient, logD

3.778

Water Solubility, LogSw

-3.99

Polar Surface Area

63.703

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with F801-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F801-0453?
Check Price and Availability of F801-0453, 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 F801-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F801-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F801-0453
  • 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 F801-0453 available by request