C174-0591 Screening compound: N-(2-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)benzamide

C174-0591 Screening compound: N-(2-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)benzamide
C174-0591 Screening compound: N-(2-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0591
N-(2-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)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

C174-0591

Molecular Formula

C25H25N3O (C25 H25 N3 O)

Compound Name

N-(2-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)benzamide

IUPAC name

N-(2-{1-[(25-dimethylphenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)benzamide

SMILES

Cc1cc(Cn2c(cccc3)c3nc2CCNC(c2ccccc2)=O)c(C)cc1

InChI

InChI=1S/C25H25N3O/c1-18-12-13-19(2)21(16-18)17-28-23-11-7-6-10-22(23)27-24(28)14-15-26-25(29)20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,26,29)

InChI Key

JJQFRPBELXKZNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

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

5.277

Distribution Coefficient, logD

5.276

Water Solubility, LogSw

-5.15

Polar Surface Area

35.398

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C174-0591 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 C174-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0591?
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What is the minimum amount of C174-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0591
  • 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 C174-0591 available by request