K241-0171 Screening compound: 1-(3-methylphenyl)-4-(4-nitrophenyl)-2,3-dihydro-1H-imidazole-2-thione

K241-0171 Screening compound: 1-(3-methylphenyl)-4-(4-nitrophenyl)-2,3-dihydro-1H-imidazole-2-thione
K241-0171 Screening compound: 1-(3-methylphenyl)-4-(4-nitrophenyl)-2,3-dihydro-1H-imidazole-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound K241-0171
1-(3-methylphenyl)-4-(4-nitrophenyl)-2,3-dihydro-1H-imidazole-2-thione

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

K241-0171

Molecular Formula

C16H13N3O2S (C16 H13 N3 O2 S)

Compound Name

1-(3-methylphenyl)-4-(4-nitrophenyl)-2,3-dihydro-1H-imidazole-2-thione

IUPAC name

1-(3-methylphenyl)-4-(4-nitrophenyl)-23-dihydro-1H-imidazole-2-thione

SMILES

Cc1cccc(N(C=C(c(cc2)ccc2[N+]([O-])=O)N2)C2=S)c1

InChI

InChI=1S/C16H13N3O2S/c1-11-3-2-4-14(9-11)18-10-15(17-16(18)22)12-5-7-13(8-6-12)19(20)21/h2-10H,1H3,(H,17,22)

InChI Key

HPWLNTYCZYPGFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03018245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.975

Distribution Coefficient, logD

2.857

Water Solubility, LogSw

-4.13

Polar Surface Area

47.780

Acid Dissociation Constant (pKa)

6.32

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

K241-0171 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K241-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K241-0171?
Check Price and Availability of K241-0171, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K241-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K241-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K241-0171
  • 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 K241-0171 available by request