C429-0192 Screening compound: ethyl 4-{5-[(2,4-difluorophenyl)carbamoyl]-2-(hydroxymethyl)benzamido}piperidine-1-carboxylate

C429-0192 Screening compound: ethyl 4-{5-[(2,4-difluorophenyl)carbamoyl]-2-(hydroxymethyl)benzamido}piperidine-1-carboxylate
C429-0192 Screening compound: ethyl 4-{5-[(2,4-difluorophenyl)carbamoyl]-2-(hydroxymethyl)benzamido}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0192
ethyl 4-{5-[(2,4-difluorophenyl)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

C429-0192

Molecular Formula

C23H25F2N3O5 (C23 H25 F2 N3 O5)

Compound Name

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

IUPAC name

ethyl 4-{5-[(24-difluorophenyl)carbamoyl]-2-(hydroxymethyl)benzamido}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1c(CO)ccc(C(Nc(ccc(F)c2)c2F)=O)c1)=O)=O

InChI

InChI=1S/C23H25F2N3O5/c1-2-33-23(32)28-9-7-17(8-10-28)26-22(31)18-11-14(3-4-15(18)13-29)21(30)27-20-6-5-16(24)12-19(20)25/h3-6,11-12,17,29H,2,7-10,13H2,1H3,(H,26,31)(H,27,30)

InChI Key

UNWAGXXLLQGMDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.806

Distribution Coefficient, logD

1.861

Water Solubility, LogSw

-3.31

Polar Surface Area

86.666

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C429-0192 in Drug Discovery

Included in Screening Libraries

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

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 C429-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0192?
Check Price and Availability of C429-0192, 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 C429-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0192
  • 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 C429-0192 available by request