3338-6039 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-methyl-4-nitro-1-benzenesulfonamide

3338-6039 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-methyl-4-nitro-1-benzenesulfonamide
3338-6039 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-methyl-4-nitro-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-6039
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-methyl-4-nitro-1-benzenesulfonamide

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

3338-6039

Molecular Formula

C11H14N2O6S2 (C11 H14 N2 O6 S2)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-methyl-4-nitro-1-benzenesulfonamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N-methyl-4-nitrobenzene-1-sulfonamide

SMILES

CN(C(CC1)CS1(=O)=O)S(c(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C11H14N2O6S2/c1-12(10-6-7-20(16,17)8-10)21(18,19)11-4-2-9(3-5-11)13(14)15/h2-5,10H,6-8H2,1H3/t10-/m1/s1

InChI Key

OJOWCRAFSGGULL-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD02720668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.37

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.532

Distribution Coefficient, logD

0.532

Water Solubility, LogSw

-2.16

Polar Surface Area

94.711

Acid Dissociation Constant (pKa)

20.12

Base Dissociation Constant (pKb)

-7.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 3338-6039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-6039?
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What is the minimum amount of 3338-6039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-6039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-6039
  • 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 3338-6039 available by request