C174-0598 Screening compound: N-(2-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-3,4,5-trimethoxybenzamide

C174-0598 Screening compound: N-(2-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-3,4,5-trimethoxybenzamide
C174-0598 Screening compound: N-(2-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0598
N-(2-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-3,4,5-trimethoxybenzamide

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

C174-0598

Molecular Formula

C28H31N3O4 (C28 H31 N3 O4)

Compound Name

N-(2-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-3,4,5-trimethoxybenzamide

IUPAC name

N-(2-{1-[(25-dimethylphenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)-345-trimethoxybenzamide

SMILES

Cc1cc(Cn2c(cccc3)c3nc2CCNC(c(cc2OC)cc(OC)c2OC)=O)c(C)cc1

InChI

InChI=1S/C28H31N3O4/c1-18-10-11-19(2)21(14-18)17-31-23-9-7-6-8-22(23)30-26(31)12-13-29-28(32)20-15-24(33-3)27(35-5)25(16-20)34-4/h6-11,14-16H,12-13,17H2,1-5H3,(H,29,32)

InChI Key

JVCRFSJLMAWXFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.163

Distribution Coefficient, logD

5.162

Water Solubility, LogSw

-4.91

Polar Surface Area

58.376

Acid Dissociation Constant (pKa)

14.72

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C174-0598 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C174-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0598?
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What is the minimum amount of C174-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0598
  • 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 C174-0598 available by request