7825-0994 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-(2-methoxyphenyl)urea

7825-0994 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-(2-methoxyphenyl)urea
7825-0994 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-(2-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 7825-0994
N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-(2-methoxyphenyl)urea

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

7825-0994

Molecular Formula

C12H16N2O4S (C12 H16 N2 O4 S)

Compound Name

N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-(2-methoxyphenyl)urea

IUPAC name

3-(11-dioxo-1lambda6-thiolan-3-yl)-1-(2-methoxyphenyl)urea

SMILES

COc(cccc1)c1NC(NC(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C12H16N2O4S/c1-18-11-5-3-2-4-10(11)14-12(15)13-9-6-7-19(16,17)8-9/h2-5,9H,6-8H2,1H3,(H2,13,14,15)/t9-/m1/s1

InChI Key

UTZNNQFNPUTNIX-SECBINFHSA-N

MDL Number (MFCD)

MFCD03037902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.395

Distribution Coefficient, logD

0.395

Water Solubility, LogSw

-2.07

Polar Surface Area

68.959

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

7825-0994 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Arginase Targeted Library (2009 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 7825-0994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7825-0994?
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What is the minimum amount of 7825-0994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7825-0994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7825-0994
  • 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 7825-0994 available by request