C429-0109 Screening compound: ethyl 4-{5-[(3,4-dimethoxyphenyl)carbamoyl]-2-(hydroxymethyl)benzamido}piperidine-1-carboxylate

C429-0109 Screening compound: ethyl 4-{5-[(3,4-dimethoxyphenyl)carbamoyl]-2-(hydroxymethyl)benzamido}piperidine-1-carboxylate
C429-0109 Screening compound: ethyl 4-{5-[(3,4-dimethoxyphenyl)carbamoyl]-2-(hydroxymethyl)benzamido}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0109
ethyl 4-{5-[(3,4-dimethoxyphenyl)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

C429-0109

Molecular Formula

C25H31N3O7 (C25 H31 N3 O7)

Compound Name

ethyl 4-{5-[(3,4-dimethoxyphenyl)carbamoyl]-2-(hydroxymethyl)benzamido}piperidine-1-carboxylate

IUPAC name

ethyl 4-{5-[(34-dimethoxyphenyl)carbamoyl]-2-(hydroxymethyl)benzamido}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1c(CO)ccc(C(Nc(cc2)cc(OC)c2OC)=O)c1)=O)=O

InChI

InChI=1S/C25H31N3O7/c1-4-35-25(32)28-11-9-18(10-12-28)26-24(31)20-13-16(5-6-17(20)15-29)23(30)27-19-7-8-21(33-2)22(14-19)34-3/h5-8,13-14,18,29H,4,9-12,15H2,1-3H3,(H,26,31)(H,27,30)

InChI Key

XNWWKAJPIRNYFQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.227

Distribution Coefficient, logD

2.213

Water Solubility, LogSw

-2.96

Polar Surface Area

102.624

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C429-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0109?
Check Price and Availability of C429-0109, 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 C429-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0109
  • 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 C429-0109 available by request