2187-3141 Screening compound: N~2~-{2,2,2-trichloro-1-[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]ethyl}-2-thiophenecarboxamide

2187-3141 Screening compound: N~2~-{2,2,2-trichloro-1-[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]ethyl}-2-thiophenecarboxamide
2187-3141 Screening compound: N~2~-{2,2,2-trichloro-1-[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]ethyl}-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2187-3141
N~2~-{2,2,2-trichloro-1-[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]ethyl}-2-thiophenecarboxamide

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

2187-3141

Molecular Formula

C11H13Cl3N2O3S2 (C11 H13 Cl3 N2 O3 S2)

Compound Name

N~2~-{2,2,2-trichloro-1-[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]ethyl}-2-thiophenecarboxamide

IUPAC name

N-{222-trichloro-1-[(11-dioxo-1lambda6-thiolan-3-yl)amino]ethyl}thiophene-2-carboxamide

SMILES

O=C(c1cccs1)NC(C(Cl)(Cl)Cl)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C11H13Cl3N2O3S2/c12-11(13,14)10(15-7-3-5-21(18,19)6-7)16-9(17)8-2-1-4-20-8/h1-2,4,7,10,15H,3,5-6H2,(H,16,17)

InChI Key

GUQCNEASLUNGSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.73

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.572

Distribution Coefficient, logD

1.544

Water Solubility, LogSw

-2.44

Polar Surface Area

63.953

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.54

2187-3141 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2187-3141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2187-3141?
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What is the minimum amount of 2187-3141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2187-3141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2187-3141
  • 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 2187-3141 available by request