G566-1099 Screening compound: 1-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea

G566-1099 Screening compound: 1-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
G566-1099 Screening compound: 1-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G566-1099
1-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea

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

G566-1099

Molecular Formula

C22H17F3N4O3S (C22 H17 F3 N4 O3 S)

Compound Name

1-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea

IUPAC name

1-{2-[({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea

SMILES

CC(ON12)=CC2=NC(CSc(cccc2)c2NC(Nc2cc(C(F)(F)F)ccc2)=O)=CC1=O

InChI

InChI=1S/C22H17F3N4O3S/c1-13-9-19-26-16(11-20(30)29(19)32-13)12-33-18-8-3-2-7-17(18)28-21(31)27-15-6-4-5-14(10-15)22(23,24)25/h2-11H,12H2,1H3,(H2,27,28,31)

InChI Key

VXBKPLXLAWIBQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.271

Distribution Coefficient, logD

4.271

Water Solubility, LogSw

-4.33

Polar Surface Area

70.036

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G566-1099 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G566-1099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-1099?
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What is the minimum amount of G566-1099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-1099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-1099
  • 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 G566-1099 available by request