C612-1135 Screening compound: 1-{4-[(4-ethoxyanilino)carbonyl]-2-pyridyl}-4-piperidinecarboxylic acid

C612-1135 Screening compound: 1-{4-[(4-ethoxyanilino)carbonyl]-2-pyridyl}-4-piperidinecarboxylic acid
C612-1135 Screening compound: 1-{4-[(4-ethoxyanilino)carbonyl]-2-pyridyl}-4-piperidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-1135
1-{4-[(4-ethoxyanilino)carbonyl]-2-pyridyl}-4-piperidinecarboxylic acid

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

C612-1135

Molecular Formula

C20H23N3O4 (C20 H23 N3 O4)

Compound Name

1-{4-[(4-ethoxyanilino)carbonyl]-2-pyridyl}-4-piperidinecarboxylic acid

IUPAC name

1-{4-[(4-ethoxyphenyl)carbamoyl]pyridin-2-yl}piperidine-4-carboxylic acid

SMILES

CCOc(cc1)ccc1NC(c1cc(N(CC2)CCC2C(O)=O)ncc1)=O

InChI

InChI=1S/C20H23N3O4/c1-2-27-17-5-3-16(4-6-17)22-19(24)15-7-10-21-18(13-15)23-11-8-14(9-12-23)20(25)26/h3-7,10,13-14H,2,8-9,11-12H2,1H3,(H,22,24)(H,25,26)

InChI Key

DEWSHWNOAJKUJD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.593

Distribution Coefficient, logD

0.040

Water Solubility, LogSw

-2.90

Polar Surface Area

70.825

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with C612-1135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-1135?
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What is the minimum amount of C612-1135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-1135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-1135
  • 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 C612-1135 available by request