5705-0482 Screening compound: 4-methyl-N-[(1E)-1-[3-(4-methylbenzenesulfonyl)-2-(3-nitrophenyl)-1,3-diazinan-1-yl]ethylidene]benzene-1-sulfonamide

5705-0482 Screening compound: 4-methyl-N-[(1E)-1-[3-(4-methylbenzenesulfonyl)-2-(3-nitrophenyl)-1,3-diazinan-1-yl]ethylidene]benzene-1-sulfonamide
5705-0482 Screening compound: 4-methyl-N-[(1E)-1-[3-(4-methylbenzenesulfonyl)-2-(3-nitrophenyl)-1,3-diazinan-1-yl]ethylidene]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5705-0482
4-methyl-N-[(1E)-1-[3-(4-methylbenzenesulfonyl)-2-(3-nitrophenyl)-1,3-diazinan-1-yl]ethylidene]benzene-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

5705-0482

Molecular Formula

C26H28N4O6S2 (C26 H28 N4 O6 S2)

Compound Name

4-methyl-N-[(1E)-1-[3-(4-methylbenzenesulfonyl)-2-(3-nitrophenyl)-1,3-diazinan-1-yl]ethylidene]benzene-1-sulfonamide

IUPAC name

4-methyl-N-[(1E)-1-[3-(4-methylbenzenesulfonyl)-2-(3-nitrophenyl)-13-diazinan-1-yl]ethylidene]benzene-1-sulfonamide

SMILES

C/C(/N(CCC1)C(c2cc([N+]([O-])=O)ccc2)N1S(c1ccc(C)cc1)(=O)=O)=N\S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C26H28N4O6S2/c1-19-8-12-24(13-9-19)37(33,34)27-21(3)28-16-5-17-29(38(35,36)25-14-10-20(2)11-15-25)26(28)22-6-4-7-23(18-22)30(31)32/h4,6-15,18,26H,5,16-17H2,1-3H3/t26-/m0/s1

InChI Key

OVUFCEMZUVXBKX-SANMLTNESA-N

MDL Number (MFCD)

MFCD03634602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.66

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.958

Distribution Coefficient, logD

4.958

Water Solubility, LogSw

-4.72

Polar Surface Area

107.661

Acid Dissociation Constant (pKa)

23.29

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 5705-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5705-0482?
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What is the minimum amount of 5705-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5705-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5705-0482
  • 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 5705-0482 available by request