G566-1061 Screening compound: 1-(4-fluorophenyl)-3-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}urea

G566-1061 Screening compound: 1-(4-fluorophenyl)-3-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}urea
G566-1061 Screening compound: 1-(4-fluorophenyl)-3-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G566-1061
1-(4-fluorophenyl)-3-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-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

G566-1061

Molecular Formula

C22H16FN5O3S2 (C22 H16 FN5 O3 S2)

Compound Name

1-(4-fluorophenyl)-3-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}urea

IUPAC name

1-(4-fluorophenyl)-3-{2-[({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl)sulfanyl]-13-benzothiazol-6-yl}urea

SMILES

CC(ON12)=CC2=NC(CSc2nc(ccc(NC(Nc(cc3)ccc3F)=O)c3)c3s2)=CC1=O

InChI

InChI=1S/C22H16FN5O3S2/c1-12-8-19-24-16(10-20(29)28(19)31-12)11-32-22-27-17-7-6-15(9-18(17)33-22)26-21(30)25-14-4-2-13(23)3-5-14/h2-10H,11H2,1H3,(H2,25,26,30)

InChI Key

LJCSGYUDQKACPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15020003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.491

Distribution Coefficient, logD

4.491

Water Solubility, LogSw

-4.33

Polar Surface Area

79.815

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

G566-1061 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G566-1061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-1061?
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What is the minimum amount of G566-1061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-1061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-1061
  • 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 G566-1061 available by request