3341-2429 Screening compound: 1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl 2-(2-nitrophenoxy)acetate

3341-2429 Screening compound: 1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl 2-(2-nitrophenoxy)acetate
3341-2429 Screening compound: 1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl 2-(2-nitrophenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3341-2429
1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl 2-(2-nitrophenoxy)acetate

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

3341-2429

Molecular Formula

C12H13NO7S (C12 H13 NO7 S)

Compound Name

1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl 2-(2-nitrophenoxy)acetate

IUPAC name

11-dioxo-1lambda6-thiolan-3-yl 2-(2-nitrophenoxy)acetate

SMILES

[O-][N+](c(cccc1)c1OCC(OC(CC1)CS1(=O)=O)=O)=O

InChI

InChI=1S/C12H13NO7S/c14-12(20-9-5-6-21(17,18)8-9)7-19-11-4-2-1-3-10(11)13(15)16/h1-4,9H,5-8H2/t9-/m1/s1

InChI Key

SSAMOHSTUJFQFP-SECBINFHSA-N

MDL Number (MFCD)

MFCD02172578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.3

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.068

Distribution Coefficient, logD

0.068

Water Solubility, LogSw

-1.96

Polar Surface Area

88.831

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

3341-2429 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3341-2429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3341-2429?
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What is the minimum amount of 3341-2429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3341-2429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3341-2429
  • 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 3341-2429 available by request