G566-0840 Screening compound: N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-4-nitrobenzene-1-sulfonamide

G566-0840 Screening compound: N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-4-nitrobenzene-1-sulfonamide
G566-0840 Screening compound: N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-4-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G566-0840
N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-4-nitrobenzene-1-sulfonamide

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

G566-0840

Molecular Formula

C20H16N4O6S2 (C20 H16 N4 O6 S2)

Compound Name

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

IUPAC name

N-{2-[({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-4-nitrobenzene-1-sulfonamide

SMILES

CC(ON12)=CC2=NC(CSc(cccc2)c2NS(c(cc2)ccc2[N+]([O-])=O)(=O)=O)=CC1=O

InChI

InChI=1S/C20H16N4O6S2/c1-13-10-19-21-14(11-20(25)23(19)30-13)12-31-18-5-3-2-4-17(18)22-32(28,29)16-8-6-15(7-9-16)24(26)27/h2-11,22H,12H2,1H3

InChI Key

BBOSPZGSVINUTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.5

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.619

Distribution Coefficient, logD

2.321

Water Solubility, LogSw

-3.06

Polar Surface Area

111.764

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with G566-0840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-0840?
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What is the minimum amount of G566-0840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-0840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-0840
  • 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 G566-0840 available by request