C174-0827 Screening compound: N-(3-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}propyl)benzamide

C174-0827 Screening compound: N-(3-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}propyl)benzamide
C174-0827 Screening compound: N-(3-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}propyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0827
N-(3-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}propyl)benzamide

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

C174-0827

Molecular Formula

C24H22FN3O (C24 H22 FN3 O)

Compound Name

N-(3-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}propyl)benzamide

IUPAC name

N-(3-{1-[(2-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}propyl)benzamide

SMILES

O=C(c1ccccc1)NCCCc1nc(cccc2)c2n1Cc(cccc1)c1F

InChI

InChI=1S/C24H22FN3O/c25-20-12-5-4-11-19(20)17-28-22-14-7-6-13-21(22)27-23(28)15-8-16-26-24(29)18-9-2-1-3-10-18/h1-7,9-14H,8,15-17H2,(H,26,29)

InChI Key

GQVIFZMYFISVLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05897659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.685

Distribution Coefficient, logD

4.684

Water Solubility, LogSw

-4.62

Polar Surface Area

35.398

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C174-0827 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C174-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0827?
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What is the minimum amount of C174-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0827
  • 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 C174-0827 available by request