C455-0397 Screening compound: 1-[1-(1H-imidazole-4-sulfonyl)piperidine-4-carbonyl]-4-(3-methoxyphenyl)piperazine

C455-0397 Screening compound: 1-[1-(1H-imidazole-4-sulfonyl)piperidine-4-carbonyl]-4-(3-methoxyphenyl)piperazine
C455-0397 Screening compound: 1-[1-(1H-imidazole-4-sulfonyl)piperidine-4-carbonyl]-4-(3-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C455-0397
1-[1-(1H-imidazole-4-sulfonyl)piperidine-4-carbonyl]-4-(3-methoxyphenyl)piperazine

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

C455-0397

Molecular Formula

C20H27N5O4S (C20 H27 N5 O4 S)

Compound Name

1-[1-(1H-imidazole-4-sulfonyl)piperidine-4-carbonyl]-4-(3-methoxyphenyl)piperazine

IUPAC name

1-[1-(1H-imidazole-4-sulfonyl)piperidine-4-carbonyl]-4-(3-methoxyphenyl)piperazine

SMILES

COc1cccc(N(CC2)CCN2C(C(CC2)CCN2S(c2c[nH]cn2)(=O)=O)=O)c1

InChI

InChI=1S/C20H27N5O4S/c1-29-18-4-2-3-17(13-18)23-9-11-24(12-10-23)20(26)16-5-7-25(8-6-16)30(27,28)19-14-21-15-22-19/h2-4,13-16H,5-12H2,1H3,(H,21,22)

InChI Key

VJJNOXVNLUFIOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.352

Distribution Coefficient, logD

1.352

Water Solubility, LogSw

-2.57

Polar Surface Area

80.475

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C455-0397 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C455-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C455-0397?
Check Price and Availability of C455-0397, 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 C455-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C455-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C455-0397
  • 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 C455-0397 available by request