C429-0289 Screening compound: ethyl 4-(5-{[1-(ethoxycarbonyl)piperidin-4-yl]carbamoyl}-2-(hydroxymethyl)benzamido)piperidine-1-carboxylate

C429-0289 Screening compound: ethyl 4-(5-{[1-(ethoxycarbonyl)piperidin-4-yl]carbamoyl}-2-(hydroxymethyl)benzamido)piperidine-1-carboxylate
C429-0289 Screening compound: ethyl 4-(5-{[1-(ethoxycarbonyl)piperidin-4-yl]carbamoyl}-2-(hydroxymethyl)benzamido)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0289
ethyl 4-(5-{[1-(ethoxycarbonyl)piperidin-4-yl]carbamoyl}-2-(hydroxymethyl)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

C429-0289

Molecular Formula

C25H36N4O7 (C25 H36 N4 O7)

Compound Name

ethyl 4-(5-{[1-(ethoxycarbonyl)piperidin-4-yl]carbamoyl}-2-(hydroxymethyl)benzamido)piperidine-1-carboxylate

IUPAC name

ethyl 4-(5-{[1-(ethoxycarbonyl)piperidin-4-yl]carbamoyl}-2-(hydroxymethyl)benzamido)piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1cc(C(NC(CC2)CCN2C(OCC)=O)=O)c(CO)cc1)=O)=O

InChI

InChI=1S/C25H36N4O7/c1-3-35-24(33)28-11-7-19(8-12-28)26-22(31)17-5-6-18(16-30)21(15-17)23(32)27-20-9-13-29(14-10-20)25(34)36-4-2/h5-6,15,19-20,30H,3-4,7-14,16H2,1-2H3,(H,26,31)(H,27,32)

InChI Key

XFYPYKFURUZOME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.744

Distribution Coefficient, logD

1.744

Water Solubility, LogSw

-2.44

Polar Surface Area

111.191

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

C429-0289 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 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 C429-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0289?
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What is the minimum amount of C429-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0289
  • 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 C429-0289 available by request