C797-0284 Screening compound: 4-ethoxyphenyl 1-(1H-1,3-benzodiazol-2-yl)piperidine-4-carboxylate

C797-0284 Screening compound: 4-ethoxyphenyl 1-(1H-1,3-benzodiazol-2-yl)piperidine-4-carboxylate
C797-0284 Screening compound: 4-ethoxyphenyl 1-(1H-1,3-benzodiazol-2-yl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0284
4-ethoxyphenyl 1-(1H-1,3-benzodiazol-2-yl)piperidine-4-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

C797-0284

Molecular Formula

C21H23N3O3 (C21 H23 N3 O3)

Compound Name

4-ethoxyphenyl 1-(1H-1,3-benzodiazol-2-yl)piperidine-4-carboxylate

IUPAC name

4-ethoxyphenyl 1-(1H-13-benzodiazol-2-yl)piperidine-4-carboxylate

SMILES

CCOc(cc1)ccc1OC(C(CC1)CCN1c1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C21H23N3O3/c1-2-26-16-7-9-17(10-8-16)27-20(25)15-11-13-24(14-12-15)21-22-18-5-3-4-6-19(18)23-21/h3-10,15H,2,11-14H2,1H3,(H,22,23)

InChI Key

OETQGSYBOKMOAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.956

Distribution Coefficient, logD

3.925

Water Solubility, LogSw

-3.89

Polar Surface Area

49.410

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C797-0284 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C797-0284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0284?
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What is the minimum amount of C797-0284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0284
  • 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 C797-0284 available by request