C548-2328 Screening compound: N-{3-[ethyl(phenyl)amino]propyl}-1-(1H-imidazole-4-sulfonyl)piperidine-3-carboxamide

C548-2328 Screening compound: N-{3-[ethyl(phenyl)amino]propyl}-1-(1H-imidazole-4-sulfonyl)piperidine-3-carboxamide
C548-2328 Screening compound: N-{3-[ethyl(phenyl)amino]propyl}-1-(1H-imidazole-4-sulfonyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-2328
N-{3-[ethyl(phenyl)amino]propyl}-1-(1H-imidazole-4-sulfonyl)piperidine-3-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

C548-2328

Molecular Formula

C20H29N5O3S (C20 H29 N5 O3 S)

Compound Name

N-{3-[ethyl(phenyl)amino]propyl}-1-(1H-imidazole-4-sulfonyl)piperidine-3-carboxamide

IUPAC name

N-{3-[ethyl(phenyl)amino]propyl}-1-(1H-imidazole-4-sulfonyl)piperidine-3-carboxamide

SMILES

CCN(CCCNC(C(CCC1)CN1S(c1c[nH]cn1)(=O)=O)=O)c1ccccc1

InChI

InChI=1S/C20H29N5O3S/c1-2-24(18-9-4-3-5-10-18)12-7-11-22-20(26)17-8-6-13-25(15-17)29(27,28)19-14-21-16-23-19/h3-5,9-10,14,16-17H,2,6-8,11-13,15H2,1H3,(H,21,23)(H,22,26)/t17-/m0/s1

InChI Key

KRASGRIQHNXYRE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14769430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.558

Distribution Coefficient, logD

1.529

Water Solubility, LogSw

-2.44

Polar Surface Area

80.201

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C548-2328 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C548-2328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-2328?
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What is the minimum amount of C548-2328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-2328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-2328
  • 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 C548-2328 available by request