C797-0702 Screening compound: N-(2-chloro-4-methylphenyl)-1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

C797-0702 Screening compound: N-(2-chloro-4-methylphenyl)-1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide
C797-0702 Screening compound: N-(2-chloro-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 C797-0702
N-(2-chloro-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

C797-0702

Molecular Formula

C27H26ClFN4O (C27 H26 ClFN4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(Cl)c1NC(C(CC1)CCN1c1nc(cccc2)c2n1Cc1cc(F)ccc1)=O

InChI

InChI=1S/C27H26ClFN4O/c1-18-9-10-23(22(28)15-18)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(29)16-19/h2-10,15-16,20H,11-14,17H2,1H3,(H,30,34)

InChI Key

RDVYSPQTFQAYBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.98

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

6.334

Distribution Coefficient, logD

6.317

Water Solubility, LogSw

-6.11

Polar Surface Area

35.554

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C797-0702 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C797-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0702?
Check Price and Availability of C797-0702, 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 C797-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0702
  • 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 C797-0702 available by request