C776-1540 Screening compound: 1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide

C776-1540 Screening compound: 1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
C776-1540 Screening compound: 1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-1540
1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]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

C776-1540

Molecular Formula

C27H32FN5O2 (C27 H32 FN5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)CCN1c1nc(cccc2)c2n1Cc1cccc(F)c1)NCCCN(CCC1)C1=O

InChI

InChI=1S/C27H32FN5O2/c28-22-7-3-6-20(18-22)19-33-24-9-2-1-8-23(24)30-27(33)32-16-11-21(12-17-32)26(35)29-13-5-15-31-14-4-10-25(31)34/h1-3,6-9,18,21H,4-5,10-17,19H2,(H,29,35)

InChI Key

BMUJPYQDUQENDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.064

Distribution Coefficient, logD

3.048

Water Solubility, LogSw

-3.16

Polar Surface Area

54.927

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C776-1540 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 compounds)

Nucleic Acid Ligands (8311 compounds)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C776-1540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-1540?
Check Price and Availability of C776-1540, 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 C776-1540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-1540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-1540
  • 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 C776-1540 available by request