C174-0602 Screening compound: N-(2-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2,2-dimethylpropanamide

C174-0602 Screening compound: N-(2-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2,2-dimethylpropanamide
C174-0602 Screening compound: N-(2-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0602
N-(2-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2,2-dimethylpropanamide

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

C174-0602

Molecular Formula

C21H24FN3O (C21 H24 FN3 O)

Compound Name

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

IUPAC name

N-(2-{1-[(2-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)-22-dimethylpropanamide

SMILES

CC(C)(C)C(NCCc1nc(cccc2)c2n1Cc(cccc1)c1F)=O

InChI

InChI=1S/C21H24FN3O/c1-21(2,3)20(26)23-13-12-19-24-17-10-6-7-11-18(17)25(19)14-15-8-4-5-9-16(15)22/h4-11H,12-14H2,1-3H3,(H,23,26)

InChI Key

VOPUBTPESBKKAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.192

Distribution Coefficient, logD

4.190

Water Solubility, LogSw

-4.21

Polar Surface Area

35.670

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C174-0602 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C174-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0602?
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What is the minimum amount of C174-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0602
  • 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 C174-0602 available by request