C776-1253 Screening compound: 1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-(2-methoxyethyl)piperidine-4-carboxamide

C776-1253 Screening compound: 1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-(2-methoxyethyl)piperidine-4-carboxamide
C776-1253 Screening compound: 1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-(2-methoxyethyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-1253
1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-(2-methoxyethyl)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

C776-1253

Molecular Formula

C23H27FN4O2 (C23 H27 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(C(CC1)CCN1c1nc(cccc2)c2n1Cc(cc1)ccc1F)=O

InChI

InChI=1S/C23H27FN4O2/c1-30-15-12-25-22(29)18-10-13-27(14-11-18)23-26-20-4-2-3-5-21(20)28(23)16-17-6-8-19(24)9-7-17/h2-9,18H,10-16H2,1H3,(H,25,29)

InChI Key

HSDKQPHFLVHHNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.640

Distribution Coefficient, logD

3.624

Water Solubility, LogSw

-3.57

Polar Surface Area

46.029

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C776-1253 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C776-1253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-1253?
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What is the minimum amount of C776-1253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-1253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-1253
  • 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 C776-1253 available by request