C797-0745 Screening compound: ethyl 3-(1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-amido)benzoate

C797-0745 Screening compound: ethyl 3-(1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-amido)benzoate
C797-0745 Screening compound: ethyl 3-(1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0745
ethyl 3-(1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-amido)benzoate

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

C797-0745

Molecular Formula

C29H29FN4O3 (C29 H29 FN4 O3)

Compound Name

ethyl 3-(1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-amido)benzoate

IUPAC name

ethyl 3-(1-{1-[(3-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}piperidine-4-amido)benzoate

SMILES

CCOC(c1cccc(NC(C(CC2)CCN2c2nc(cccc3)c3n2Cc2cccc(F)c2)=O)c1)=O

InChI

InChI=1S/C29H29FN4O3/c1-2-37-28(36)22-8-6-10-24(18-22)31-27(35)21-13-15-33(16-14-21)29-32-25-11-3-4-12-26(25)34(29)19-20-7-5-9-23(30)17-20/h3-12,17-18,21H,2,13-16,19H2,1H3,(H,31,35)

InChI Key

IAYDOQJZUONICB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.093

Distribution Coefficient, logD

6.077

Water Solubility, LogSw

-5.48

Polar Surface Area

57.005

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

C797-0745 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C797-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0745?
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What is the minimum amount of C797-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0745
  • 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 C797-0745 available by request