C776-0991 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

C776-0991 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide
C776-0991 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-0991
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{1-[(2-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

C776-0991

Molecular Formula

C28H33FN4O (C28 H33 FN4 O)

Compound Name

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

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{1-[(2-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1nc(cccc2)c2n1Cc(cccc1)c1F)NCCC1=CCCCC1

InChI

InChI=1S/C28H33FN4O/c29-24-11-5-4-10-23(24)20-33-26-13-7-6-12-25(26)31-28(33)32-18-15-22(16-19-32)27(34)30-17-14-21-8-2-1-3-9-21/h4-8,10-13,22H,1-3,9,14-20H2,(H,30,34)

InChI Key

RLUUKMFCSQQAJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.700

Distribution Coefficient, logD

5.695

Water Solubility, LogSw

-5.64

Polar Surface Area

37.607

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C776-0991 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • 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 C776-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-0991?
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What is the minimum amount of C776-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-0991
  • 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 C776-0991 available by request