8002-6010 Screening compound: 4-[(E)-{[(4-methoxyphenyl)formamido]imino}methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate

8002-6010 Screening compound: 4-[(E)-{[(4-methoxyphenyl)formamido]imino}methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate
8002-6010 Screening compound: 4-[(E)-{[(4-methoxyphenyl)formamido]imino}methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-6010
4-[(E)-{[(4-methoxyphenyl)formamido]imino}methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate

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

8002-6010

Molecular Formula

C22H19N3O7S (C22 H19 N3 O7 S)

Compound Name

4-[(E)-{[(4-methoxyphenyl)formamido]imino}methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate

IUPAC name

4-[(E)-{[(4-methoxyphenyl)formamido]imino}methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate

SMILES

Cc(ccc(S(Oc1ccc(/C=N/NC(c(cc2)ccc2OC)=O)cc1)(=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C22H19N3O7S/c1-15-3-12-20(13-21(15)25(27)28)33(29,30)32-19-8-4-16(5-9-19)14-23-24-22(26)17-6-10-18(31-2)11-7-17/h3-14H,1-2H3,(H,24,26)

InChI Key

MIHFCFGUHCXDCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00732929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.299

Distribution Coefficient, logD

4.294

Water Solubility, LogSw

-4.43

Polar Surface Area

111.940

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 8002-6010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-6010?
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What is the minimum amount of 8002-6010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-6010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-6010
  • 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 8002-6010 available by request