G566-1102 Screening compound: 3-(2,4-difluorophenyl)-1-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}urea

G566-1102 Screening compound: 3-(2,4-difluorophenyl)-1-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}urea
G566-1102 Screening compound: 3-(2,4-difluorophenyl)-1-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G566-1102
3-(2,4-difluorophenyl)-1-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]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

G566-1102

Molecular Formula

C21H16F2N4O3S (C21 H16 F2 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(ON12)=CC2=NC(CSc(cccc2)c2NC(Nc(ccc(F)c2)c2F)=O)=CC1=O

InChI

InChI=1S/C21H16F2N4O3S/c1-12-8-19-24-14(10-20(28)27(19)30-12)11-31-18-5-3-2-4-17(18)26-21(29)25-16-7-6-13(22)9-15(16)23/h2-10H,11H2,1H3,(H2,25,26,29)

InChI Key

ADWYAHGWLXZICM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.145

Distribution Coefficient, logD

3.144

Water Solubility, LogSw

-3.36

Polar Surface Area

69.338

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

G566-1102 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G566-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-1102?
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What is the minimum amount of G566-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-1102
  • 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 G566-1102 available by request