C776-1458 Screening compound: N-(4-acetylphenyl)-1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

C776-1458 Screening compound: N-(4-acetylphenyl)-1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide
C776-1458 Screening compound: N-(4-acetylphenyl)-1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-1458
N-(4-acetylphenyl)-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

C776-1458

Molecular Formula

C28H27FN4O2 (C28 H27 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)ccc1NC(C(CC1)CCN1c1nc(cccc2)c2n1Cc1cccc(F)c1)=O)=O

InChI

InChI=1S/C28H27FN4O2/c1-19(34)21-9-11-24(12-10-21)30-27(35)22-13-15-32(16-14-22)28-31-25-7-2-3-8-26(25)33(28)18-20-5-4-6-23(29)17-20/h2-12,17,22H,13-16,18H2,1H3,(H,30,35)

InChI Key

RPTUHXGGUFPLPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.853

Distribution Coefficient, logD

4.836

Water Solubility, LogSw

-4.65

Polar Surface Area

50.078

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C776-1458 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Nucleic Acid Ligands (8311 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • 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 C776-1458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-1458?
Check Price and Availability of C776-1458, 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 C776-1458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-1458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-1458
  • 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 C776-1458 available by request