C455-0453 Screening compound: 1-(1H-imidazole-4-sulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)piperidine-4-carboxamide

C455-0453 Screening compound: 1-(1H-imidazole-4-sulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)piperidine-4-carboxamide
C455-0453 Screening compound: 1-(1H-imidazole-4-sulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C455-0453
1-(1H-imidazole-4-sulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)piperidine-4-carboxamide

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

C455-0453

Molecular Formula

C12H14N6O5S2 (C12 H14 N6 O5 S2)

Compound Name

1-(1H-imidazole-4-sulfonyl)-N-(5-nitro-1,3-thiazol-2-yl)piperidine-4-carboxamide

IUPAC name

1-(1H-imidazole-4-sulfonyl)-N-(5-nitro-13-thiazol-2-yl)piperidine-4-carboxamide

SMILES

[O-][N+](c1cnc(NC(C(CC2)CCN2S(c2c[nH]cn2)(=O)=O)=O)s1)=O

InChI

InChI=1S/C12H14N6O5S2/c19-11(16-12-14-6-10(24-12)18(20)21)8-1-3-17(4-2-8)25(22,23)9-5-13-7-15-9/h5-8H,1-4H2,(H,13,15)(H,14,16,19)

InChI Key

LXDXKFNZVSTMIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.997

Distribution Coefficient, logD

-0.407

Water Solubility, LogSw

-2.36

Polar Surface Area

120.415

Acid Dissociation Constant (pKa)

6.01

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C455-0453 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C455-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C455-0453?
Check Price and Availability of C455-0453, 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 C455-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C455-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C455-0453
  • 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 C455-0453 available by request