G566-0874 Screening compound: 2-fluoro-N-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzamide

G566-0874 Screening compound: 2-fluoro-N-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzamide
G566-0874 Screening compound: 2-fluoro-N-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G566-0874
2-fluoro-N-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzamide

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

G566-0874

Molecular Formula

C21H16FN3O3S (C21 H16 FN3 O3 S)

Compound Name

2-fluoro-N-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzamide

IUPAC name

2-fluoro-N-{4-[({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzamide

SMILES

CC(ON12)=CC2=NC(CSc(cc2)ccc2NC(c(cccc2)c2F)=O)=CC1=O

InChI

InChI=1S/C21H16FN3O3S/c1-13-10-19-23-15(11-20(26)25(19)28-13)12-29-16-8-6-14(7-9-16)24-21(27)17-4-2-3-5-18(17)22/h2-11H,12H2,1H3,(H,24,27)

InChI Key

AEMWKVYYYRMOIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.993

Distribution Coefficient, logD

2.992

Water Solubility, LogSw

-3.74

Polar Surface Area

61.522

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with G566-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-0874?
Check Price and Availability of G566-0874, 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 G566-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-0874
  • 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 G566-0874 available by request