F896-0477 Screening compound: 1-{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-(2,5-dimethylphenyl)piperazine

F896-0477 Screening compound: 1-{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-(2,5-dimethylphenyl)piperazine
F896-0477 Screening compound: 1-{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-(2,5-dimethylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F896-0477
1-{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-(2,5-dimethylphenyl)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

F896-0477

Molecular Formula

C23H33N5O3S (C23 H33 N5 O3 S)

Compound Name

1-{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-(2,5-dimethylphenyl)piperazine

IUPAC name

1-{1-[(12-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-(25-dimethylphenyl)piperazine

SMILES

Cc1nc(S(N(CC2)CCC2C(N(CC2)CCN2c2c(C)ccc(C)c2)=O)(=O)=O)cn1C

InChI

InChI=1S/C23H33N5O3S/c1-17-5-6-18(2)21(15-17)26-11-13-27(14-12-26)23(29)20-7-9-28(10-8-20)32(30,31)22-16-25(4)19(3)24-22/h5-6,15-16,20H,7-14H2,1-4H3

InChI Key

YFXSQICADRZJMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14970271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.601

Distribution Coefficient, logD

2.601

Water Solubility, LogSw

-2.77

Polar Surface Area

63.907

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

F896-0477 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with F896-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F896-0477?
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What is the minimum amount of F896-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F896-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F896-0477
  • 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 F896-0477 available by request