G566-1024 Screening compound: 1-(2,4-difluorophenyl)-3-{5-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea

G566-1024 Screening compound: 1-(2,4-difluorophenyl)-3-{5-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea
G566-1024 Screening compound: 1-(2,4-difluorophenyl)-3-{5-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G566-1024
1-(2,4-difluorophenyl)-3-{5-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}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

G566-1024

Molecular Formula

C17H12F2N6O3S2 (C17 H12 F2 N6 O3 S2)

Compound Name

1-(2,4-difluorophenyl)-3-{5-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea

IUPAC name

1-(24-difluorophenyl)-3-{5-[({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}urea

SMILES

CC(ON12)=CC2=NC(CSc2nnc(NC(Nc(ccc(F)c3)c3F)=O)s2)=CC1=O

InChI

InChI=1S/C17H12F2N6O3S2/c1-8-4-13-20-10(6-14(26)25(13)28-8)7-29-17-24-23-16(30-17)22-15(27)21-12-3-2-9(18)5-11(12)19/h2-6H,7H2,1H3,(H2,21,22,23,27)

InChI Key

RFNKVOHUQZTORG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.964

Distribution Coefficient, logD

2.963

Water Solubility, LogSw

-3.35

Polar Surface Area

92.942

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G566-1024 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G566-1024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-1024?
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What is the minimum amount of G566-1024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-1024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-1024
  • 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 G566-1024 available by request