C776-1428 Screening compound: 8-(1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane

C776-1428 Screening compound: 8-(1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane
C776-1428 Screening compound: 8-(1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-1428
8-(1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane

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

C776-1428

Molecular Formula

C27H31FN4O3 (C27 H31 FN4 O3)

Compound Name

8-(1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-(1-{1-[(4-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}piperidine-4-carbonyl)-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(C(CC1)CCN1c1nc(cccc2)c2n1Cc(cc1)ccc1F)N(CC1)CCC11OCCO1

InChI

InChI=1S/C27H31FN4O3/c28-22-7-5-20(6-8-22)19-32-24-4-2-1-3-23(24)29-26(32)31-13-9-21(10-14-31)25(33)30-15-11-27(12-16-30)34-17-18-35-27/h1-8,21H,9-19H2

InChI Key

UEZUKLJVMFAOPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.867

Water Solubility, LogSw

-3.97

Polar Surface Area

44.245

Acid Dissociation Constant (pKa)

21.91

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

C776-1428 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C776-1428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-1428?
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What is the minimum amount of C776-1428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-1428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-1428
  • 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 C776-1428 available by request