C429-0277 Screening compound: ethyl 4-[2-(hydroxymethyl)-5-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}benzamido]piperidine-1-carboxylate

C429-0277 Screening compound: ethyl 4-[2-(hydroxymethyl)-5-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}benzamido]piperidine-1-carboxylate
C429-0277 Screening compound: ethyl 4-[2-(hydroxymethyl)-5-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}benzamido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0277
ethyl 4-[2-(hydroxymethyl)-5-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}benzamido]piperidine-1-carboxylate

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

C429-0277

Molecular Formula

C28H36N4O7S (C28 H36 N4 O7 S)

Compound Name

ethyl 4-[2-(hydroxymethyl)-5-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}benzamido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[2-(hydroxymethyl)-5-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}benzamido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1c(CO)ccc(C(Nc(cc2)ccc2S(N2CCCCC2)(=O)=O)=O)c1)=O)=O

InChI

InChI=1S/C28H36N4O7S/c1-2-39-28(36)31-16-12-23(13-17-31)30-27(35)25-18-20(6-7-21(25)19-33)26(34)29-22-8-10-24(11-9-22)40(37,38)32-14-4-3-5-15-32/h6-11,18,23,33H,2-5,12-17,19H2,1H3,(H,29,34)(H,30,35)

InChI Key

FWOCZEYAMPDQCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.68

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.789

Distribution Coefficient, logD

2.628

Water Solubility, LogSw

-3.53

Polar Surface Area

119.075

Acid Dissociation Constant (pKa)

7.75

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

C429-0277 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C429-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0277?
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What is the minimum amount of C429-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0277
  • 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 C429-0277 available by request