C797-0733 Screening compound: N-(3-fluoro-4-methylphenyl)-1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

C797-0733 Screening compound: N-(3-fluoro-4-methylphenyl)-1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide
C797-0733 Screening compound: N-(3-fluoro-4-methylphenyl)-1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0733
N-(3-fluoro-4-methylphenyl)-1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

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

C797-0733

Molecular Formula

C27H26F2N4O (C27 H26 F2 N4 O)

Compound Name

N-(3-fluoro-4-methylphenyl)-1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

IUPAC name

N-(3-fluoro-4-methylphenyl)-1-{1-[(3-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}piperidine-4-carboxamide

SMILES

Cc(ccc(NC(C(CC1)CCN1c1nc(cccc2)c2n1Cc1cc(F)ccc1)=O)c1)c1F

InChI

InChI=1S/C27H26F2N4O/c1-18-9-10-22(16-23(18)29)30-26(34)20-11-13-32(14-12-20)27-31-24-7-2-3-8-25(24)33(27)17-19-5-4-6-21(28)15-19/h2-10,15-16,20H,11-14,17H2,1H3,(H,30,34)

InChI Key

VLLQPKJRMVUTBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.961

Distribution Coefficient, logD

5.944

Water Solubility, LogSw

-5.47

Polar Surface Area

36.251

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C797-0733 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C797-0733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0733?
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What is the minimum amount of C797-0733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0733
  • 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 C797-0733 available by request